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

Systemtic Name: 2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-methoxyphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxybenzoyl]amino]benzoic acid Traditional Name: 2-[[4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoyl]amino]benzoic acid Formula: C32H35N3O5 MolecularWeight: 541.6374

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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)NC4=CC=CC=C4C(=O)O)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O)OC

InChI

InChI=1S/C32H35N3O5/c1-4-6-9-21(5-2)30(36)33-25-15-14-22-16-17-35(28(22)19-25)20-24-13-12-23(18-29(24)40-3)31(37)34-27-11-8-7-10-26(27)32(38)39/h7-8,10-19,21H,4-6,9,20H2,1-3H3,(H,33,36)(H,34,37)(H,38,39)