3-methoxy-4-[[1-methyl-5-(2-methylheptylcarbamoyl)indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[1-methyl-5-(2-methylheptylcarbamoyl)indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[1-methyl-5-(2-methylheptylcarbamoyl)indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-[(2-methylheptylamino)-oxomethyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-methyl-5-(2-methylheptylcarbamoyl)indol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[1-methyl-5-(2-methylheptylcarbamoyl)indol-3-yl]methyl]benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

Isomeric SMILES

CCCCCC(C)CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C

InChI

InChI=1S/C27H34N2O4/c1-5-6-7-8-18(2)16-28-26(30)20-11-12-24-23(14-20)22(17-29(24)3)13-19-9-10-21(27(31)32)15-25(19)33-4/h9-12,14-15,17-18H,5-8,13,16H2,1-4H3,(H,28,30)(H,31,32)