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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(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) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(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:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H26ClNO6/c1-19-22-16-24(30)26(17-25(22)37-28(33)23(19)15-20-9-4-2-5-10-20)36-27(32)13-8-14-31-29(34)35-18-21-11-6-3-7-12-21/h2-7,9-12,16-17H,8,13-15,18H2,1H3,(H,31,34)