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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H20ClNO5/c1-2-23-18(22)13-4-3-7-20(10-13)16(21)6-5-12-8-14(19)17-15(9-12)24-11-25-17/h5-6,8-9,13H,2-4,7,10-11H2,1H3/b6-5+