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

Systemtic Name: methyl 1-[(E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acryloyl]isonipecotic acid methyl ester Formula: C18H20ClNO5 MolecularWeight: 365.8081

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H20ClNO5/c1-23-18(22)13-4-6-20(7-5-13)16(21)3-2-12-10-14(19)17-15(11-12)24-8-9-25-17/h2-3,10-11,13H,4-9H2,1H3/b3-2+