4-[[5-(hexanoylamino)-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-(hexanoylamino)-1-prop-2-enyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-allyl-5-(hexanoylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[5-(1-oxohexylamino)-1-prop-2-enyl-3-indolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(hexanoylamino)-1-prop-2-enylindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-allyl-5-(caproylamino)indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC=C

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)CC=C

InChI

InChI=1S/C26H30N2O4/c1-4-6-7-8-25(29)27-21-11-12-23-22(16-21)20(17-28(23)13-5-2)14-18-9-10-19(26(30)31)15-24(18)32-3/h5,9-12,15-17H,2,4,6-8,13-14H2,1,3H3,(H,27,29)(H,30,31)