(Z)-2-(1-hexan-2-ylindol-5-yl)but-2-enoic acid

Systemtic Name: (Z)-2-(1-hexan-2-ylindol-5-yl)but-2-enoic acid Openeye Name: (Z)-2-[1-(1-methylpentyl)indol-5-yl]but-2-enoic acid CAS Name: (Z)-2-(1-hexan-2-yl-5-indolyl)-2-butenoic acid IUPAC Name: (Z)-2-(1-hexan-2-ylindol-5-yl)but-2-enoic acid Traditional Name: (Z)-2-[1-(1-methylpentyl)indol-5-yl]but-2-enoic acid Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)N1C=CC2=C1C=CC(=C2)C(=CC)C(=O)O

Isomeric SMILES

CCCCC(C)N1C=CC2=C1C=CC(=C2)/C(=C/C)/C(=O)O

InChI

InChI=1S/C18H23NO2/c1-4-6-7-13(3)19-11-10-15-12-14(8-9-17(15)19)16(5-2)18(20)21/h5,8-13H,4,6-7H2,1-3H3,(H,20,21)/b16-5-