3-methoxy-4-[1-[5-[(1-methyl-2-oxidanylidene-piperidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoic acid

Systemtic Name: 3-methoxy-4-[1-[5-[(1-methyl-2-oxidanylidene-piperidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoic acid Openeye Name: 3-methoxy-4-[1-[5-[(1-methyl-2-oxo-3-piperidyl)methyl]-1H-indol-3-yl]butyl]benzoic acid CAS Name: 3-methoxy-4-[1-[5-[(1-methyl-2-oxo-3-piperidinyl)methyl]-1H-indol-3-yl]butyl]benzoic acid IUPAC Name: 3-methoxy-4-[1-[5-[(1-methyl-2-oxopiperidin-3-yl)methyl]-1H-indol-3-yl]butyl]benzoic acid Traditional Name: 4-[1-[5-[(2-keto-1-methyl-3-piperidyl)methyl]-1H-indol-3-yl]butyl]-3-methoxy-benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1)C(=O)O)OC)C2=CNC3=C2C=C(C=C3)CC4CCCN(C4=O)C

Isomeric SMILES

CCCC(C1=C(C=C(C=C1)C(=O)O)OC)C2=CNC3=C2C=C(C=C3)CC4CCCN(C4=O)C

InChI

InChI=1S/C27H32N2O4/c1-4-6-20(21-10-9-19(27(31)32)15-25(21)33-3)23-16-28-24-11-8-17(14-22(23)24)13-18-7-5-12-29(2)26(18)30/h8-11,14-16,18,20,28H,4-7,12-13H2,1-3H3,(H,31,32)