(3-methyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (3-methyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 2-(benzyloxycarbonylamino)hexanoate CAS Name: 2-(phenylmethoxycarbonylamino)hexanoic acid (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl) ester IUPAC Name: (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) 2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-(benzyloxycarbonylamino)hexanoic acid (6-keto-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) ester Formula: C28H31NO6 MolecularWeight: 477.54884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=CC(=CC2=C1C3=C(CCCC3)C(=O)O2)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)OC1=CC(=CC2=C1C3=C(CCCC3)C(=O)O2)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO6/c1-3-4-14-22(29-28(32)33-17-19-10-6-5-7-11-19)27(31)35-24-16-18(2)15-23-25(24)20-12-8-9-13-21(20)26(30)34-23/h5-7,10-11,15-16,22H,3-4,8-9,12-14,17H2,1-2H3,(H,29,32)