ethyl 4-[[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[allyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylcarbamoyl]amino]benzoate Traditional Name: 4-[[allyl-[(1-m-anisylpyrrol-2-yl)methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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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=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC=C)CC2=CC=CN2CC3=CC(=CC=C3)OC

InChI

InChI=1S/C26H29N3O4/c1-4-15-29(26(31)27-22-13-11-21(12-14-22)25(30)33-5-2)19-23-9-7-16-28(23)18-20-8-6-10-24(17-20)32-3/h4,6-14,16-17H,1,5,15,18-19H2,2-3H3,(H,27,31)