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

Systemtic Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-(3-phenylpropoxy)benzoic acid Openeye Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-(3-phenylpropoxy)benzoic acid CAS Name: 4-[[6-[(2-ethyl-1-oxohexyl)amino]-1-indolyl]methyl]-3-(3-phenylpropoxy)benzoic acid IUPAC Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-(3-phenylpropoxy)benzoic acid Traditional Name: 4-[[6-(2-ethylhexanoylamino)indol-1-yl]methyl]-3-(3-phenylpropoxy)benzoic acid Formula: C33H38N2O4 MolecularWeight: 526.66582

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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)OCCCC4=CC=CC=C4

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C33H38N2O4/c1-3-5-13-25(4-2)32(36)34-29-17-16-26-18-19-35(30(26)22-29)23-28-15-14-27(33(37)38)21-31(28)39-20-9-12-24-10-7-6-8-11-24/h6-8,10-11,14-19,21-22,25H,3-5,9,12-13,20,23H2,1-2H3,(H,34,36)(H,37,38)