4-[[cyclohexylcarbonyl-[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[cyclohexylcarbonyl-[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl]amino]methyl]benzoic acid Openeye Name: 4-[[cyclohexanecarbonyl-[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl]amino]methyl]benzoic acid CAS Name: 4-[[[cyclohexyl(oxo)methyl]-[(8-methoxy-2,2-dimethyl-1-benzopyran-7-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[cyclohexanecarbonyl-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]amino]methyl]benzoic acid Traditional Name: 4-[[cyclohexanecarbonyl-[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl]amino]methyl]benzoic acid Formula: C28H33NO5 MolecularWeight: 463.56532

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C(=C(C=C2)CN(CC3=CC=C(C=C3)C(=O)O)C(=O)C4CCCCC4)OC)C

Isomeric SMILES

CC1(C=CC2=C(O1)C(=C(C=C2)CN(CC3=CC=C(C=C3)C(=O)O)C(=O)C4CCCCC4)OC)C

InChI

InChI=1S/C28H33NO5/c1-28(2)16-15-20-13-14-23(24(33-3)25(20)34-28)18-29(26(30)21-7-5-4-6-8-21)17-19-9-11-22(12-10-19)27(31)32/h9-16,21H,4-8,17-18H2,1-3H3,(H,31,32)