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

Systemtic Name: ethyl 4-[[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[allyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylcarbamoyl]amino]benzoate Traditional Name: 4-[[allyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC=C)CC2=CC=CN2CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC=C)CC2=CC=CN2CC3=CC=CC=C3C

InChI

InChI=1S/C26H29N3O3/c1-4-16-29(26(31)27-23-14-12-21(13-15-23)25(30)32-5-2)19-24-11-8-17-28(24)18-22-10-7-6-9-20(22)3/h4,6-15,17H,1,5,16,18-19H2,2-3H3,(H,27,31)