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

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)-3-(3-methoxy-3-oxidanylidene-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(2-ethylhexanoylamino)-3-(3-methoxy-3-oxo-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-3-(3-methoxy-3-oxopropyl)-1-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-(2-ethylhexanoylamino)-3-(3-methoxy-3-oxopropyl)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(2-ethylhexanoylamino)-3-(3-keto-3-methoxy-propyl)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)O)OC)CCC(=O)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)O)OC)CCC(=O)OC

InChI

InChI=1S/C29H36N2O6/c1-5-7-8-19(6-2)28(33)30-23-12-13-24-21(11-14-27(32)37-4)17-31(25(24)16-23)18-22-10-9-20(29(34)35)15-26(22)36-3/h9-10,12-13,15-17,19H,5-8,11,14,18H2,1-4H3,(H,30,33)(H,34,35)