methyl (3S)-4-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-4-oxidanylidene-3-piperidin-1-yl-butanoate

Systemtic Name: methyl (3S)-4-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-4-oxidanylidene-3-piperidin-1-yl-butanoate Openeye Name: methyl (3S)-4-(5-chloro-2,4-dimethoxy-anilino)-4-oxo-3-(1-piperidyl)butanoate CAS Name: (3S)-4-(5-chloro-2,4-dimethoxyanilino)-4-oxo-3-(1-piperidinyl)butanoic acid methyl ester IUPAC Name: methyl (3S)-4-(5-chloro-2,4-dimethoxyanilino)-4-oxo-3-piperidin-1-ylbutanoate Traditional Name: (3S)-4-(5-chloro-2,4-dimethoxy-anilino)-4-keto-3-piperidino-butyric acid methyl ester Formula: C18H25ClN2O5 MolecularWeight: 384.8545

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C(CC(=O)OC)N2CCCCC2)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)[C@H](CC(=O)OC)N2CCCCC2)Cl)OC

InChI

InChI=1S/C18H25ClN2O5/c1-24-15-11-16(25-2)13(9-12(15)19)20-18(23)14(10-17(22)26-3)21-7-5-4-6-8-21/h9,11,14H,4-8,10H2,1-3H3,(H,20,23)/t14-/m0/s1