[1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2H-chromene-3-carboxylate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] 2H-chromene-3-carboxylate Openeye Name: [1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2-oxoazepan-3-yl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [1-(4-chlorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C23H20ClNO5 MolecularWeight: 425.8616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)OC(=O)C2=CC3=CC=CC=C3OC2)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)OC(=O)C2=CC3=CC=CC=C3OC2)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClNO5/c24-18-10-8-15(9-11-18)21(26)25-12-4-3-7-20(22(25)27)30-23(28)17-13-16-5-1-2-6-19(16)29-14-17/h1-2,5-6,8-11,13,20H,3-4,7,12,14H2