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

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

CCCCC(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

CCCCC(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/C31H30ClNO6/c1-3-4-15-26(33-31(36)37-19-22-13-9-6-10-14-22)30(35)39-28-18-27-23(17-25(28)32)20(2)24(29(34)38-27)16-21-11-7-5-8-12-21/h5-14,17-18,26H,3-4,15-16,19H2,1-2H3,(H,33,36)