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

Systemtic Name: ethyl 4-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C18H21ClN2O5/c1-2-24-18(23)21-7-5-13(6-8-21)20-16(22)4-3-12-9-14(19)17-15(10-12)25-11-26-17/h3-4,9-10,13H,2,5-8,11H2,1H3,(H,20,22)/b4-3+