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

Systemtic Name: 4-[[cyclopropylcarbonyl-[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl]amino]methyl]benzoic acid Openeye Name: 4-[[cyclopropanecarbonyl-[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl]amino]methyl]benzoic acid CAS Name: 4-[[[cyclopropyl(oxo)methyl]-[(8-methoxy-2,2-dimethyl-1-benzopyran-7-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[cyclopropanecarbonyl-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]amino]methyl]benzoic acid Traditional Name: 4-[[cyclopropanecarbonyl-[(8-methoxy-2,2-dimethyl-chromen-7-yl)methyl]amino]methyl]benzoic acid Formula: C25H27NO5 MolecularWeight: 421.48558

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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)C4CC4)OC)C

Isomeric SMILES

CC1(C=CC2=C(O1)C(=C(C=C2)CN(CC3=CC=C(C=C3)C(=O)O)C(=O)C4CC4)OC)C

InChI

InChI=1S/C25H27NO5/c1-25(2)13-12-17-8-11-20(21(30-3)22(17)31-25)15-26(23(27)18-9-10-18)14-16-4-6-19(7-5-16)24(28)29/h4-8,11-13,18H,9-10,14-15H2,1-3H3,(H,28,29)