4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-(1-azepanyl)phenyl]-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[4-(azepan-1-yl)phenyl]-3-keto-prop-1-enyl]benzoate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H23NO3/c24-21(14-7-17-5-8-19(9-6-17)22(25)26)18-10-12-20(13-11-18)23-15-3-1-2-4-16-23/h5-14H,1-4,15-16H2,(H,25,26)/p-1/b14-7+