(Z)-3-[1-(2,2-dimethylpropyl)indol-5-yl]but-2-enoic acid

Systemtic Name: (Z)-3-[1-(2,2-dimethylpropyl)indol-5-yl]but-2-enoic acid Openeye Name: (Z)-3-[1-(2,2-dimethylpropyl)indol-5-yl]but-2-enoic acid CAS Name: (Z)-3-[1-(2,2-dimethylpropyl)-5-indolyl]-2-butenoic acid IUPAC Name: (Z)-3-[1-(2,2-dimethylpropyl)indol-5-yl]but-2-enoic acid Traditional Name: (Z)-3-(1-neopentylindol-5-yl)but-2-enoic acid Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC2=C(C=C1)N(C=C2)CC(C)(C)C

Isomeric SMILES

C/C(=C/C(=O)O)/C1=CC2=C(C=C1)N(C=C2)CC(C)(C)C

InChI

InChI=1S/C17H21NO2/c1-12(9-16(19)20)13-5-6-15-14(10-13)7-8-18(15)11-17(2,3)4/h5-10H,11H2,1-4H3,(H,19,20)/b12-9-