[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methoxybenzoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methoxybenzoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H26N2O4/c1-27-20-12-6-17(7-13-20)22(26)28-16-21(25)23-18-8-10-19(11-9-18)24-14-4-2-3-5-15-24/h6-13H,2-5,14-16H2,1H3,(H,23,25)