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

Systemtic Name: (4-methyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-(benzyloxycarbonylamino)butanoate CAS Name: 2-(phenylmethoxycarbonylamino)butanoic acid (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl) ester IUPAC Name: (4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) 2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)butyric acid (6-keto-4-methyl-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:

CCC(C(=O)OC1=C(C2=C(C=C1)C3=C(CCCC3)C(=O)O2)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)OC1=C(C2=C(C=C1)C3=C(CCCC3)C(=O)O2)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO6/c1-3-21(27-26(30)31-15-17-9-5-4-6-10-17)25(29)32-22-14-13-19-18-11-7-8-12-20(18)24(28)33-23(19)16(22)2/h4-6,9-10,13-14,21H,3,7-8,11-12,15H2,1-2H3,(H,27,30)