(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C25H30N2O4/c1-17(2)22(26-23(28)20-10-6-18(3)7-11-20)25(30)31-16-19-8-12-21(13-9-19)24(29)27-14-4-5-15-27/h6-13,17,22H,4-5,14-16H2,1-3H3,(H,26,28)