(3S)-1-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(3-chloro-4,5-dimethoxy-phenyl)acryloyl]-N-phenyl-nipecotamide Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C23H25ClN2O4/c1-29-20-14-16(13-19(24)22(20)30-2)10-11-21(27)26-12-6-7-17(15-26)23(28)25-18-8-4-3-5-9-18/h3-5,8-11,13-14,17H,6-7,12,15H2,1-2H3,(H,25,28)/b11-10+/t17-/m0/s1