(Z)-2-(azepan-1-yl)-4-oxidanylidene-4-phenyl-but-2-enoic acid

Systemtic Name: (Z)-2-(azepan-1-yl)-4-oxidanylidene-4-phenyl-but-2-enoic acid Openeye Name: (Z)-2-(azepan-1-yl)-4-oxo-4-phenyl-but-2-enoic acid CAS Name: (Z)-2-(1-azepanyl)-4-oxo-4-phenyl-2-butenoic acid IUPAC Name: (Z)-2-(azepan-1-yl)-4-oxo-4-phenylbut-2-enoic acid Traditional Name: (Z)-2-(azepan-1-yl)-4-keto-4-phenyl-but-2-enoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=CC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)/C(=C\C(=O)C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C16H19NO3/c18-15(13-8-4-3-5-9-13)12-14(16(19)20)17-10-6-1-2-7-11-17/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,19,20)/b14-12-