4-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid

Systemtic Name: 4-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Openeye Name: 4-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid CAS Name: 4-[(2-ethyl-1-oxohexyl)amino]-3-methoxy-2-[(1-methyl-3-indolyl)methyl]benzoic acid IUPAC Name: 4-(2-ethylhexanoylamino)-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Traditional Name: 4-(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=C(C(=C(C=C1)C(=O)O)CC2=CN(C3=CC=CC=C32)C)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=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)27-22-14-13-20(26(30)31)21(24(22)32-4)15-18-16-28(3)23-12-9-8-11-19(18)23/h8-9,11-14,16-17H,5-7,10,15H2,1-4H3,(H,27,29)(H,30,31)