methyl 4-[(E)-3-[[2-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[[2-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[2-(azepan-1-yl)anilino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[2-(1-azepanyl)anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[2-(azepan-1-yl)anilino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[2-(azepan-1-yl)anilino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C23H26N2O3/c1-28-23(27)19-13-10-18(11-14-19)12-15-22(26)24-20-8-4-5-9-21(20)25-16-6-2-3-7-17-25/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H,24,26)/b15-12+