3-[(1,2,3-trimethoxy-10-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]propanoic acid

Systemtic Name: 3-[(1,2,3-trimethoxy-10-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]propanoic acid Openeye Name: 3-[(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]propanoic acid CAS Name: 3-[(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]propanoic acid IUPAC Name: 3-[(10-hydroxy-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]propanoic acid Traditional Name: 3-[(10-hydroxy-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]propionic acid Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)O)NCCC(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)O)NCCC(=O)O)OC)OC

InChI

InChI=1S/C22H25NO7/c1-28-18-10-12-4-6-15(23-9-8-19(26)27)14-11-17(25)16(24)7-5-13(14)20(12)22(30-3)21(18)29-2/h5,7,10-11,15,23H,4,6,8-9H2,1-3H3,(H,24,25)(H,26,27)