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

Systemtic Name: ethyl 4-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-propan-2-yl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[isopropyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]amino]-4-oxo-butanoate CAS Name: 4-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl-propan-2-ylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-propan-2-ylamino]-4-oxobutanoate Traditional Name: 4-[isopropyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]amino]-4-keto-butyric acid ethyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-5-27-22(26)12-11-21(25)24(17(2)3)16-20-10-7-13-23(20)15-19-9-6-8-18(4)14-19/h6-10,13-14,17H,5,11-12,15-16H2,1-4H3