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

Systemtic Name: ethyl 4-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylcarbamoyl]amino]benzoate Traditional Name: 4-[[[1-(2-chlorobenzyl)pyrrol-2-yl]methyl-cyclohexyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CC2=CC=CN2CC3=CC=CC=C3Cl)C4CCCCC4

InChI

InChI=1S/C28H32ClN3O3/c1-2-35-27(33)21-14-16-23(17-15-21)30-28(34)32(24-10-4-3-5-11-24)20-25-12-8-18-31(25)19-22-9-6-7-13-26(22)29/h6-9,12-18,24H,2-5,10-11,19-20H2,1H3,(H,30,34)