4-cyano-1-[2-[(3-methylphenyl)carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylate

Systemtic Name: 4-cyano-1-[2-[(3-methylphenyl)carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylate Openeye Name: 4-cyano-1-[2-(m-tolylcarbamoylamino)acetyl]-5-phenyl-pyrrolidine-2-carboxylate CAS Name: 4-cyano-1-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylate IUPAC Name: 4-cyano-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]-5-phenylpyrrolidine-2-carboxylate Traditional Name: 4-cyano-1-[2-(m-tolylcarbamoylamino)acetyl]-5-phenyl-pyrrolidine-2-carboxylate Formula: C22H21N4O4- MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2C(CC(C2C3=CC=CC=C3)C#N)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2C(CC(C2C3=CC=CC=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-14-6-5-9-17(10-14)25-22(30)24-13-19(27)26-18(21(28)29)11-16(12-23)20(26)15-7-3-2-4-8-15/h2-10,16,18,20H,11,13H2,1H3,(H,28,29)(H2,24,25,30)/p-1