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

Systemtic Name: [4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (3-benzyl-4-methyl-2-oxo-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic acid [4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-4-methyl-2-oxochromen-7-yl) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (3-benzyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C31H31NO6 MolecularWeight: 513.58094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO6/c1-22-26-17-16-25(20-28(26)38-30(34)27(22)19-23-11-5-2-6-12-23)37-29(33)15-9-4-10-18-32-31(35)36-21-24-13-7-3-8-14-24/h2-3,5-8,11-14,16-17,20H,4,9-10,15,18-19,21H2,1H3,(H,32,35)