5-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid

Systemtic Name: 5-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Openeye Name: 5-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid CAS Name: 5-[(2-ethyl-1-oxohexyl)amino]-3-methoxy-2-[(1-methyl-3-indolyl)methyl]benzoic acid IUPAC Name: 5-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Traditional Name: 5-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C(=C1)C(=O)O)CC2=CN(C3=CC=CC=C32)C)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC(=C(C(=C1)C(=O)O)CC2=CN(C3=CC=CC=C32)C)OC

InChI

InChI=1S/C26H32N2O4/c1-5-7-10-17(6-2)25(29)27-19-14-22(26(30)31)21(24(15-19)32-4)13-18-16-28(3)23-12-9-8-11-20(18)23/h8-9,11-12,14-17H,5-7,10,13H2,1-4H3,(H,27,29)(H,30,31)