4-[1-[5-(hexanoylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxy-benzoic acid Openeye Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[1-[5-(1-oxohexylamino)-1H-indol-3-yl]but-3-enyl]benzoic acid IUPAC Name: 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxybenzoic acid Traditional Name: 4-[1-[5-(caproylamino)-1H-indol-3-yl]but-3-enyl]-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)NC=C2C(CC=C)C3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)NC=C2C(CC=C)C3=C(C=C(C=C3)C(=O)O)OC

InChI

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