[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methoxynaphthalene-2-carboxylate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methoxynaphthalene-2-carboxylate Openeye Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 3-methoxynaphthalene-2-carboxylate CAS Name: 3-methoxy-2-naphthalenecarboxylic acid [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-methoxynaphthalene-2-carboxylate Traditional Name: 3-methoxynaphthalene-2-carboxylic acid [(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H22ClNO4 MolecularWeight: 459.92088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C=C3OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC4=CC=CC=C4C=C3OC)Cl

InChI

InChI=1S/C27H22ClNO4/c1-17-12-13-21(16-23(17)28)29-26(30)25(18-8-4-3-5-9-18)33-27(31)22-14-19-10-6-7-11-20(19)15-24(22)32-2/h3-16,25H,1-2H3,(H,29,30)/t25-/m0/s1