ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoate

Systemtic Name: ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoate Openeye Name: ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxo-ethyl]-2-ethoxy-benzoate CAS Name: 4-[2-[1-[2-(1-azepanyl)phenyl]butylamino]-2-oxoethyl]-2-ethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-oxoethyl]-2-ethoxybenzoate Traditional Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]butylamino]-2-keto-ethyl]-2-ethoxy-benzoic acid ethyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)OCC)OCC

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCCC2)NC(=O)CC3=CC(=C(C=C3)C(=O)OCC)OCC

InChI

InChI=1S/C29H40N2O4/c1-4-13-25(23-14-9-10-15-26(23)31-18-11-7-8-12-19-31)30-28(32)21-22-16-17-24(29(33)35-6-3)27(20-22)34-5-2/h9-10,14-17,20,25H,4-8,11-13,18-19,21H2,1-3H3,(H,30,32)