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

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [2-[(3S)-3-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-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-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-[(3S)-3-methylpiperidino]ethyl] ester Formula: C21H28ClNO5 MolecularWeight: 409.90372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C=CC2=CC(=C(C(=C2)Cl)OC(C)C)OC

Isomeric SMILES

C[C@H]1CCCN(C1)C(=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)10-16(11-18(21)26-4)7-8-20(25)27-13-19(24)23-9-5-6-15(3)12-23/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3/b8-7+/t15-/m0/s1