ethyl (2R)-1-cyclohexyl-5-oxidanylidene-4-[(phenylmethyl)amino]-3-[(phenylmethyl)carbamoyl]-2H-pyrrole-2-carboxylate

Systemtic Name: ethyl (2R)-1-cyclohexyl-5-oxidanylidene-4-[(phenylmethyl)amino]-3-[(phenylmethyl)carbamoyl]-2H-pyrrole-2-carboxylate Openeye Name: ethyl (2R)-4-(benzylamino)-3-(benzylcarbamoyl)-1-cyclohexyl-5-oxo-2H-pyrrole-2-carboxylate CAS Name: (2R)-1-cyclohexyl-5-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-4-[(phenylmethyl)amino]-2H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-4-(benzylamino)-3-(benzylcarbamoyl)-1-cyclohexyl-5-oxo-2H-pyrrole-2-carboxylate Traditional Name: (2R)-4-(benzylamino)-3-(benzylcarbamoyl)-1-cyclohexyl-5-keto-3-pyrroline-2-carboxylic acid ethyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C(C(=O)N1C2CCCCC2)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H]1C(=C(C(=O)N1C2CCCCC2)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O4/c1-2-35-28(34)25-23(26(32)30-19-21-14-8-4-9-15-21)24(29-18-20-12-6-3-7-13-20)27(33)31(25)22-16-10-5-11-17-22/h3-4,6-9,12-15,22,25,29H,2,5,10-11,16-19H2,1H3,(H,30,32)/t25-/m1/s1