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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC=C)CC1=CC=CN1CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC=C)CC1=CC=CN1CC2=CC=CC=C2C

InChI

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