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

Systemtic Name: (8-hexyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: (8-hexyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic 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) 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid (8-hexyl-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C29H33NO6 MolecularWeight: 491.57542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO6/c1-2-3-4-8-12-21-17-24-22-13-9-14-23(22)28(32)36-26(24)18-25(21)35-27(31)15-16-30-29(33)34-19-20-10-6-5-7-11-20/h5-7,10-11,17-18H,2-4,8-9,12-16,19H2,1H3,(H,30,33)