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

Systemtic Name: ethyl 4-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[allyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]amino]-4-oxo-butanoate CAS Name: 4-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylamino]-4-oxobutanoate Traditional Name: 4-[allyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]amino]-4-keto-butyric acid ethyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-4-13-24(21(25)11-12-22(26)27-5-2)17-20-10-7-14-23(20)16-19-9-6-8-18(3)15-19/h4,6-10,14-15H,1,5,11-13,16-17H2,2-3H3