(phenylmethyl) 4-[(phenylmethyl)-[(phenylmethyl)carbamoyl]amino]-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-[(phenylmethyl)-[(phenylmethyl)carbamoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-[benzyl(benzylcarbamoyl)amino]-1H-pyrrole-2-carboxylate CAS Name: 4-[[oxo-[(phenylmethyl)amino]methyl]-(phenylmethyl)amino]-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[benzyl(benzylcarbamoyl)amino]-1H-pyrrole-2-carboxylate Traditional Name: 4-[benzyl(benzylcarbamoyl)amino]-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)N(CC2=CC=CC=C2)C3=CNC(=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)N(CC2=CC=CC=C2)C3=CNC(=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3/c31-26(33-20-23-14-8-3-9-15-23)25-16-24(18-28-25)30(19-22-12-6-2-7-13-22)27(32)29-17-21-10-4-1-5-11-21/h1-16,18,28H,17,19-20H2,(H,29,32)