[(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] cyclobutanecarboxylate

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] cyclobutanecarboxylate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3CCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3CCC3)Cl

InChI

InChI=1S/C20H20ClNO4/c1-25-17-11-10-15(12-16(17)21)22-19(23)18(13-6-3-2-4-7-13)26-20(24)14-8-5-9-14/h2-4,6-7,10-12,14,18H,5,8-9H2,1H3,(H,22,23)/t18-/m0/s1