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

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid [4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-2-oxochromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (3-benzyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C29H27NO6 MolecularWeight: 485.52778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCCNC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H27NO6/c1-20-24-15-14-23(18-26(24)36-28(32)25(20)17-21-9-4-2-5-10-21)35-27(31)13-8-16-30-29(33)34-19-22-11-6-3-7-12-22/h2-7,9-12,14-15,18H,8,13,16-17,19H2,1H3,(H,30,33)