(Z)-2-(1-heptan-4-ylindol-5-yl)hex-2-enoic acid

Systemtic Name: (Z)-2-(1-heptan-4-ylindol-5-yl)hex-2-enoic acid Openeye Name: (Z)-2-[1-(1-propylbutyl)indol-5-yl]hex-2-enoic acid CAS Name: (Z)-2-(1-heptan-4-yl-5-indolyl)-2-hexenoic acid IUPAC Name: (Z)-2-(1-heptan-4-ylindol-5-yl)hex-2-enoic acid Traditional Name: (Z)-2-[1-(1-propylbutyl)indol-5-yl]hex-2-enoic acid Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(C1=CC2=C(C=C1)N(C=C2)C(CCC)CCC)C(=O)O

Isomeric SMILES

CCC/C=C(/C1=CC2=C(C=C1)N(C=C2)C(CCC)CCC)\C(=O)O

InChI

InChI=1S/C21H29NO2/c1-4-7-10-19(21(23)24)16-11-12-20-17(15-16)13-14-22(20)18(8-5-2)9-6-3/h10-15,18H,4-9H2,1-3H3,(H,23,24)/b19-10-