methyl (2S,4R)-4-[(4-methylphenyl)carbonylamino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(4-methylphenyl)carbonylamino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(4-methylbenzoyl)amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[[(4-methylphenyl)-oxomethyl]amino]-1-(3-phenylpropyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(4-methylbenzoyl)amino]-1-(3-phenylpropyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(3-phenylpropyl)-4-(p-toluoylamino)pyrrolidine-2-carboxylic acid methyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2CC(N(C2)CCCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H]2C[C@H](N(C2)CCCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O3/c1-17-10-12-19(13-11-17)22(26)24-20-15-21(23(27)28-2)25(16-20)14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,20-21H,6,9,14-16H2,1-2H3,(H,24,26)/t20-,21+/m1/s1