methyl 2-[3-[(4-cyanophenyl)carbamoyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: methyl 2-[3-[(4-cyanophenyl)carbamoyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: methyl 2-[3-[(4-cyanophenyl)carbamoyl]-2-naphthyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[3-[(4-cyanoanilino)-oxomethyl]-2-naphthalenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-cyanophenyl)carbamoyl]naphthalen-2-yl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[3-[(4-cyanophenyl)carbamoyl]-2-naphthyl]-5-(isobutylcarbamoyl)benzoic acid methyl ester Formula: C31H27N3O4 MolecularWeight: 505.56378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC3=CC=CC=C3C=C2C(=O)NC4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C31H27N3O4/c1-19(2)18-33-29(35)23-10-13-25(28(16-23)31(37)38-3)26-14-21-6-4-5-7-22(21)15-27(26)30(36)34-24-11-8-20(17-32)9-12-24/h4-16,19H,18H2,1-3H3,(H,33,35)(H,34,36)