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

Systemtic Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-pentyl-carbamoyl]amino]benzoate CAS Name: 4-[[[[1-[(3-chlorophenyl)methyl]-2-pyrrolyl]methyl-pentylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl-pentylcarbamoyl]amino]benzoate Traditional Name: 4-[[amyl-[[1-(3-chlorobenzyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C27H32ClN3O3 MolecularWeight: 482.01428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN3O3/c1-3-5-6-16-31(27(33)29-24-14-12-22(13-15-24)26(32)34-4-2)20-25-11-8-17-30(25)19-21-9-7-10-23(28)18-21/h7-15,17-18H,3-6,16,19-20H2,1-2H3,(H,29,33)