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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 6-(benzyloxycarbonylamino)hexanoate CAS Name: 6-(phenylmethoxycarbonylamino)hexanoic 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) 6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)hexanoic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C31H30ClNO6 MolecularWeight: 548.026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30ClNO6/c1-21-24-18-26(32)28(19-27(24)39-30(35)25(21)17-22-11-5-2-6-12-22)38-29(34)15-9-4-10-16-33-31(36)37-20-23-13-7-3-8-14-23/h2-3,5-8,11-14,18-19H,4,9-10,15-17,20H2,1H3,(H,33,36)