4-(1H-indol-3-yl)butanoic acid; 2-methylpropyl prop-2-enoate

Systemtic Name: 4-(1H-indol-3-yl)butanoic acid; 2-methylpropyl prop-2-enoate Openeye Name: 4-(1H-indol-3-yl)butanoic acid; isobutyl prop-2-enoate CAS Name: 4-(1H-indol-3-yl)butanoic acid; 2-propenoic acid 2-methylpropyl ester IUPAC Name: 4-(1H-indol-3-yl)butanoic acid; 2-methylpropyl prop-2-enoate Traditional Name: acrylic acid isobutyl ester; 4-(1H-indol-3-yl)butyric acid Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C=C.C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O

Isomeric SMILES

CC(C)COC(=O)C=C.C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O

InChI

InChI=1S/C12H13NO2.C7H12O2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;1-4-7(8)9-5-6(2)3/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);4,6H,1,5H2,2-3H3