(phenylmethyl) 2-[4-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-phenyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-phenyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[4-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-phenyl]pyrrolidine-1-carboxylate CAS Name: 2-[4-[4-[(cyclopropylamino)-oxomethyl]phenyl]-3-methylphenyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[4-(cyclopropylcarbamoyl)phenyl]-3-methylphenyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-phenyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCCN2C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NC5CC5

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCCN2C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)NC5CC5

InChI

InChI=1S/C29H30N2O3/c1-20-18-24(27-8-5-17-31(27)29(33)34-19-21-6-3-2-4-7-21)13-16-26(20)22-9-11-23(12-10-22)28(32)30-25-14-15-25/h2-4,6-7,9-13,16,18,25,27H,5,8,14-15,17,19H2,1H3,(H,30,32)