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

Systemtic Name: 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[3-(cyclohexylmethyl)-6-[(2-ethylbutylamino)-oxomethyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[3-(cyclohexylmethyl)-6-(2-ethylbutylcarbamoyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)O)OC)CC4CCCCC4

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)O)OC)CC4CCCCC4

InChI

InChI=1S/C31H40N2O4/c1-4-21(5-2)18-32-30(34)23-13-14-27-26(15-22-9-7-6-8-10-22)20-33(28(27)16-23)19-25-12-11-24(31(35)36)17-29(25)37-3/h11-14,16-17,20-22H,4-10,15,18-19H2,1-3H3,(H,32,34)(H,35,36)