4-[[6-(2-ethylbutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-ethylbutylamino)-oxomethyl]-3-propyl-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-propylindol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-propyl-indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

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