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

Systemtic Name: methyl 1-[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]-4-phenyl-isonipecotic acid methyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClNO5/c1-28-22(27)23(17-5-3-2-4-6-17)9-11-25(12-10-23)20(26)8-7-16-13-18(24)21-19(14-16)29-15-30-21/h2-8,13-14H,9-12,15H2,1H3/b8-7+