methyl 1-[(E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoprop-2-enyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acryloyl]-4-phenyl-isonipecotic acid methyl ester Formula: C24H24ClNO5 MolecularWeight: 441.90406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C24H24ClNO5/c1-29-23(28)24(18-5-3-2-4-6-18)9-11-26(12-10-24)21(27)8-7-17-15-19(25)22-20(16-17)30-13-14-31-22/h2-8,15-16H,9-14H2,1H3/b8-7+