[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] pentanoate

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] pentanoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] pentanoate CAS Name: pentanoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] pentanoate Traditional Name: valeric acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO5/c1-2-3-9-20(24)27-17-11-10-16-12-18(22(26)28-19(16)13-17)21(25)23-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3,(H,23,25)