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

Systemtic Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-amino]-4-oxo-butanoate CAS Name: 4-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl-pentylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-pentylamino]-4-oxobutanoate Traditional Name: 4-[amyl-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]amino]-4-keto-butyric acid ethyl ester Formula: C23H31ClN2O3 MolecularWeight: 418.95684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O3/c1-3-5-6-14-26(22(27)12-13-23(28)29-4-2)18-21-11-8-15-25(21)17-19-9-7-10-20(24)16-19/h7-11,15-16H,3-6,12-14,17-18H2,1-2H3