trimethyl 2-[3-tert-butyl-8-cyclohexyl-1-[di(propan-2-yl)amino]-6-methoxycarbonyl-5-(4-methoxyphenyl)-2,8-diaza-1$l^{5}-phosphabicyclo[3.2.1]octa-1,3,6-trien-7-yl]ethene-1,1,2-tricarboxylate

Systemtic Name: trimethyl 2-[3-tert-butyl-8-cyclohexyl-1-[di(propan-2-yl)amino]-6-methoxycarbonyl-5-(4-methoxyphenyl)-2,8-diaza-1$l^{5}-phosphabicyclo[3.2.1]octa-1,3,6-trien-7-yl]ethene-1,1,2-tricarboxylate Openeye Name: trimethyl 2-[3-tert-butyl-8-cyclohexyl-1-(diisopropylamino)-6-methoxycarbonyl-5-(4-methoxyphenyl)-2,8-diaza-1$l^{5}-phosphabicyclo[3.2.1]octa-1,3,6-trien-7-yl]ethene-1,1,2-tricarboxylate CAS Name: 2-[3-tert-butyl-8-cyclohexyl-1-[di(propan-2-yl)amino]-6-methoxycarbonyl-5-(4-methoxyphenyl)-2,8-diaza-1$l^{5}-phosphabicyclo[3.2.1]octa-1,3,6-trien-7-yl]ethene-1,1,2-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 2-[3-tert-butyl-8-cyclohexyl-1-[di(propan-2-yl)amino]-6-methoxycarbonyl-5-(4-methoxyphenyl)-2,8-diaza-1$l^{5}-phosphabicyclo[3.2.1]octa-1,3,6-trien-7-yl]ethene-1,1,2-tricarboxylate Traditional Name: 2-[3-tert-butyl-6-carbomethoxy-8-cyclohexyl-1-(diisopropylamino)-5-(4-methoxyphenyl)-2,8-diaza-1$l^{5}-phosphabicyclo[3.2.1]octa-1,3,6-trien-7-yl]ethene-1,1,2-tricarboxylic acid trimethyl ester Formula: C38H54N3O9P MolecularWeight: 727.823821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P12=NC(=CC(N1C3CCCCC3)(C(=C2C(=C(C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)OC)C(C)(C)C

Isomeric SMILES

CC(C)N(C(C)C)P12=NC(=CC(N1C3CCCCC3)(C(=C2C(=C(C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)OC)C(C)(C)C

InChI

InChI=1S/C38H54N3O9P/c1-23(2)40(24(3)4)51-32(29(33(42)47-9)30(34(43)48-10)35(44)49-11)31(36(45)50-12)38(22-28(39-51)37(5,6)7,25-18-20-27(46-8)21-19-25)41(51)26-16-14-13-15-17-26/h18-24,26H,13-17H2,1-12H3