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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O4/c1-5-7-8-18(6-2)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)