[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate CAS Name: 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate Traditional Name: 4-keto-3-methyl-2-phenyl-chromene-8-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO5/c1-17-22(28)19-12-9-13-20(24(19)31-23(17)18-10-5-4-6-11-18)25(29)30-16-21(27)26-14-7-2-3-8-15-26/h4-6,9-13H,2-3,7-8,14-16H2,1H3