(8-hexyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (8-hexyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (8-hexyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (8-hexyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (8-hexyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (8-hexyl-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C30H35NO6 MolecularWeight: 505.602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C3=C(CCC3)C(=O)O2)OC(=O)CCCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C3=C(CCC3)C(=O)O2)OC(=O)CCCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H35NO6/c1-2-3-4-8-13-22-18-25-23-14-9-15-24(23)29(33)37-27(25)19-26(22)36-28(32)16-10-17-31-30(34)35-20-21-11-6-5-7-12-21/h5-7,11-12,18-19H,2-4,8-10,13-17,20H2,1H3,(H,31,34)