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

Systemtic Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-[(Z)-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-[(Z)-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-ethylbutylamino)-oxomethyl]-3-[(Z)-prop-1-enyl]-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-[(Z)-prop-1-enyl]indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(2-ethylbutylcarbamoyl)-3-[(Z)-prop-1-enyl]indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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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)C=CC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/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/h5,8-14,16,18H,6-7,15,17H2,1-4H3,(H,28,30)(H,31,32)/b8-5-