naphthalen-1-ylmethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: naphthalen-1-ylmethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 1-naphthylmethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 1-naphthylmethyl ester Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C21H16N2O3/c22-13-12-20(24)23-18-10-8-16(9-11-18)21(25)26-14-17-6-3-5-15-4-1-2-7-19(15)17/h1-11H,12,14H2,(H,23,24)