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

Systemtic Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[allyl-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]amino]-4-oxo-butanoate CAS Name: 4-[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-4-oxobutanoate Traditional Name: 4-[allyl-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]amino]-4-keto-butyric acid ethyl ester Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3/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/h3,5-9,13-14H,1,4,10-12,15-16H2,2H3