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

Systemtic Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[allyl-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl-prop-2-enylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-prop-2-enylcarbamoyl]amino]benzoate Traditional Name: 4-[[allyl-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O3/c1-3-14-29(25(31)27-22-12-10-20(11-13-22)24(30)32-4-2)18-23-9-6-15-28(23)17-19-7-5-8-21(26)16-19/h3,5-13,15-16H,1,4,14,17-18H2,2H3,(H,27,31)