4-[[4-(hexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[4-(hexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[4-(hexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[4-(1-oxohexylamino)-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[4-(hexanoylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[4-(caproylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC2=C1C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC2=C1C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C23H26N2O4/c1-3-4-5-9-22(26)24-19-7-6-8-20-18(19)12-13-25(20)15-17-11-10-16(23(27)28)14-21(17)29-2/h6-8,10-14H,3-5,9,15H2,1-2H3,(H,24,26)(H,27,28)