methyl 3-[4-[(4-chlorophenyl)carbonylamino]butanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[4-[(4-chlorophenyl)carbonylamino]butanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[4-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O4/c1-31-23(30)17-8-11-20(27-13-2-3-14-27)19(15-17)26-21(28)5-4-12-25-22(29)16-6-9-18(24)10-7-16/h6-11,15H,2-5,12-14H2,1H3,(H,25,29)(H,26,28)