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

Systemtic Name: 3-(3-cyanopropoxy)-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-(3-cyanopropoxy)-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid CAS Name: 3-(3-cyanopropoxy)-4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-(3-cyanopropoxy)-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 3-(3-cyanopropoxy)-4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]benzoic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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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)OCCCC#N

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OCCCC#N

InChI

InChI=1S/C28H33N3O4/c1-3-5-8-20(4-2)27(32)30-24-12-11-21-13-15-31(25(21)18-24)19-23-10-9-22(28(33)34)17-26(23)35-16-7-6-14-29/h9-13,15,17-18,20H,3-8,16,19H2,1-2H3,(H,30,32)(H,33,34)