[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl] naphthalene-2-carboxylate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl] naphthalene-2-carboxylate Openeye Name: [2-[(2-benzyloxy-1-cyano-ethyl)amino]-1-(cyclopropylmethyl)-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-3-cyclopropyl-1-oxopropan-2-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-[(2-benzoxy-1-cyano-ethyl)amino]-1-(cyclopropylmethyl)-2-keto-ethyl] ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC1CC(C(=O)NC(COCC2=CC=CC=C2)C#N)OC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H26N2O4/c28-16-24(18-32-17-20-6-2-1-3-7-20)29-26(30)25(14-19-10-11-19)33-27(31)23-13-12-21-8-4-5-9-22(21)15-23/h1-9,12-13,15,19,24-25H,10-11,14,17-18H2,(H,29,30)