ethyl (3S)-1-[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(Z)-2-benzamido-3-(2-furyl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(Z)-2-benzamido-3-(2-furanyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(Z)-2-benzamido-3-(2-furyl)acryloyl]nipecotic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5/c1-2-28-22(27)17-10-6-12-24(15-17)21(26)19(14-18-11-7-13-29-18)23-20(25)16-8-4-3-5-9-16/h3-5,7-9,11,13-14,17H,2,6,10,12,15H2,1H3,(H,23,25)/b19-14-/t17-/m0/s1