(phenylmethyl) 3-aminocarbonyl-2-(7-cyanoheptyl)benzoate

Systemtic Name: (phenylmethyl) 3-aminocarbonyl-2-(7-cyanoheptyl)benzoate Openeye Name: benzyl 3-carbamoyl-2-(7-cyanoheptyl)benzoate CAS Name: 3-carbamoyl-2-(7-cyanoheptyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carbamoyl-2-(7-cyanoheptyl)benzoate Traditional Name: 3-carbamoyl-2-(7-cyanoheptyl)benzoic acid benzyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2CCCCCCCC#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2CCCCCCCC#N)C(=O)N

InChI

InChI=1S/C23H26N2O3/c24-16-9-4-2-1-3-8-13-19-20(22(25)26)14-10-15-21(19)23(27)28-17-18-11-6-5-7-12-18/h5-7,10-12,14-15H,1-4,8-9,13,17H2,(H2,25,26)