ethyl 2-[[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-carbamoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-carbamoyl]amino]ethanoate Openeye Name: ethyl 2-[[allyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]acetate CAS Name: 2-[[[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylcarbamoyl]amino]acetate Traditional Name: 2-[[allyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]acetic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-4-11-24(21(26)22-14-20(25)27-5-2)16-19-10-7-12-23(19)15-18-9-6-8-17(3)13-18/h4,6-10,12-13H,1,5,11,14-16H2,2-3H3,(H,22,26)