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

Systemtic Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-propyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-propyl-carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl-propylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-propylcarbamoyl]amino]benzoate Traditional Name: 4-[[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl-propyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C25H28ClN3O3/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/h5-13,15-16H,3-4,14,17-18H2,1-2H3,(H,27,31)