[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-[(4-methyl-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)oxymethyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C26H27NO6/c1-18-14-25(29)33-23-15-21(10-11-22(18)23)31-16-19-6-8-20(9-7-19)26(30)32-17-24(28)27-12-4-2-3-5-13-27/h6-11,14-15H,2-5,12-13,16-17H2,1H3