[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)butanoate CAS Name: 2-(phenylmethoxycarbonylamino)butanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)butyric acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C29H26ClNO6 MolecularWeight: 519.97284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)OC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H26ClNO6/c1-3-24(31-29(34)35-17-20-12-8-5-9-13-20)28(33)37-26-16-25-21(15-23(26)30)18(2)22(27(32)36-25)14-19-10-6-4-7-11-19/h4-13,15-16,24H,3,14,17H2,1-2H3,(H,31,34)