methyl 4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxidanylidene-propoxy]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxidanylidene-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxo-propoxy]cyclohexanecarboxylate CAS Name: 4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-[4-[[(2-bromoanilino)-oxomethyl]amino]-3-methoxyphenyl]-2-oxopropoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-[4-[(2-bromophenyl)carbamoylamino]-3-methoxyphenyl]-2-oxopropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-[4-[(2-bromophenyl)carbamoylamino]-3-methoxy-phenyl]-2-keto-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C33H42BrN3O6 MolecularWeight: 656.60708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)C(N2CCC3C2CCCC3)OC4CCC(CC4)C(=O)OC)NC(=O)NC5=CC=CC=C5Br

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)C(N2CCC3C2CCCC3)OC4CCC(CC4)C(=O)OC)NC(=O)NC5=CC=CC=C5Br

InChI

InChI=1S/C33H42BrN3O6/c1-41-30-20-21(11-16-27(30)36-33(40)35-26-9-5-4-8-25(26)34)19-29(38)31(37-18-17-22-7-3-6-10-28(22)37)43-24-14-12-23(13-15-24)32(39)42-2/h4-5,8-9,11,16,20,22-24,28,31H,3,6-7,10,12-15,17-19H2,1-2H3,(H2,35,36,40)