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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)C(=O)NCC(CC)CC)CC3=C(C=C(C=C3)C(=O)O)OC

InChI

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