[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl] (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid [2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-isopropoxy-5-methoxy-phenyl)acrylic acid [2-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C21H28ClNO5 MolecularWeight: 409.90372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C=CC2=CC(=C(C(=C2)Cl)OC(C)C)OC

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC(C)C)OC

InChI

InChI=1S/C21H28ClNO5/c1-14(2)28-21-17(22)11-16(12-18(21)26-4)8-9-20(25)27-13-19(24)23-10-6-5-7-15(23)3/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3/b9-8+/t15-/m0/s1