methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylate Openeye Name: methyl 4-(4-benzyloxybutoxy)-1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-4-(4-phenylmethoxybutoxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-(4-phenylmethoxybutoxy)pyrrolidine-2-carboxylate Traditional Name: 4-(4-benzoxybutoxy)-1-[2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C30H46N2O7 MolecularWeight: 546.69544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)OC)OCCCCOCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)OC)OCCCCOCC3=CC=CC=C3

InChI

InChI=1S/C30H46N2O7/c1-30(2,3)39-29(35)31-26(23-15-9-6-10-16-23)27(33)32-20-24(19-25(32)28(34)36-4)38-18-12-11-17-37-21-22-13-7-5-8-14-22/h5,7-8,13-14,23-26H,6,9-12,15-21H2,1-4H3,(H,31,35)