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

Systemtic Name: 4-[[5-(2-ethylbutylcarbamoyl)-1-propan-2-yl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-(2-ethylbutylcarbamoyl)-1-isopropyl-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-[(2-ethylbutylamino)-oxomethyl]-1-propan-2-yl-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[5-(2-ethylbutylcarbamoyl)-1-propan-2-ylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-(2-ethylbutylcarbamoyl)-1-isopropyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O4/c1-6-18(7-2)15-28-26(30)20-10-11-24-23(13-20)22(16-29(24)17(3)4)12-19-8-9-21(27(31)32)14-25(19)33-5/h8-11,13-14,16-18H,6-7,12,15H2,1-5H3,(H,28,30)(H,31,32)