[1-[(1-cyano-2-phenylmethoxy-ethyl)carbamoyl]cyclohexyl] naphthalene-2-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)carbamoyl]cyclohexyl] naphthalene-2-carboxylate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]cyclohexyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [1-[[(1-cyano-2-phenylmethoxyethyl)amino]-oxomethyl]cyclohexyl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)carbamoyl]cyclohexyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]cyclohexyl] ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(CC1)(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H28N2O4/c29-18-25(20-33-19-21-9-3-1-4-10-21)30-27(32)28(15-7-2-8-16-28)34-26(31)24-14-13-22-11-5-6-12-23(22)17-24/h1,3-6,9-14,17,25H,2,7-8,15-16,19-20H2,(H,30,32)