(3S)-1-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]-N-phenyl-nipecotamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O3/c1-28-20-11-10-18(23)14-16(20)9-12-21(26)25-13-5-6-17(15-25)22(27)24-19-7-3-2-4-8-19/h2-4,7-12,14,17H,5-6,13,15H2,1H3,(H,24,27)/b12-9+/t17-/m0/s1