ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-4-oxo-butanoate CAS Name: 4-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-4-oxobutanoate Traditional Name: 4-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-4-keto-butyric acid ethyl ester Formula: C24H31ClN2O3 MolecularWeight: 430.96754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C3CCCCC3

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C3CCCCC3

InChI

InChI=1S/C24H31ClN2O3/c1-2-30-24(29)14-13-23(28)27(21-10-4-3-5-11-21)18-22-12-7-15-26(22)17-19-8-6-9-20(25)16-19/h6-9,12,15-16,21H,2-5,10-11,13-14,17-18H2,1H3