6-[(2-methyl-4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]hexanoic acid

Systemtic Name: 6-[(2-methyl-4-oxidanyl-7-oxidanylidene-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]hexanoic acid Openeye Name: 6-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]hexanoic acid CAS Name: 6-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydro-1-benzopyran-8-yl)methylamino]hexanoic acid IUPAC Name: 6-[(4-hydroxy-2-methyl-7-oxo-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]hexanoic acid Traditional Name: 6-[(4-hydroxy-7-keto-2-methyl-3-phenoxy-5,6,8,8a-tetrahydrochromen-8-yl)methylamino]hexanoic acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)CNCCCCCC(=O)O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)CNCCCCCC(=O)O)O)OC3=CC=CC=C3

InChI

InChI=1S/C23H29NO6/c1-15-22(30-16-8-4-2-5-9-16)21(28)17-11-12-19(25)18(23(17)29-15)14-24-13-7-3-6-10-20(26)27/h2,4-5,8-9,18,23-24,28H,3,6-7,10-14H2,1H3,(H,26,27)