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

Systemtic Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-propyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-propyl-amino]-4-oxo-butanoate CAS Name: 4-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl-propylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-propylamino]-4-oxobutanoate Traditional Name: 4-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl-propyl-amino]-4-keto-butyric acid ethyl ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)CCC(=O)OCC

InChI

InChI=1S/C21H27ClN2O3/c1-3-12-24(20(25)10-11-21(26)27-4-2)16-19-9-6-13-23(19)15-17-7-5-8-18(22)14-17/h5-9,13-14H,3-4,10-12,15-16H2,1-2H3