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

Systemtic Name: (6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl) ester IUPAC Name: (6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) ester Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO6/c1-16(2)23(27-26(30)31-15-17-8-4-3-5-9-17)25(29)32-18-12-13-20-19-10-6-7-11-21(19)24(28)33-22(20)14-18/h3-5,8-9,12-14,16,23H,6-7,10-11,15H2,1-2H3,(H,27,30)