5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]-1H-indole-2-carboxylic acid Openeye Name: 5-[(E)-3-tert-butoxy-3-oxo-prop-1-enyl]-1H-indole-2-carboxylic acid CAS Name: 5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid Traditional Name: 5-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]-1H-indole-2-carboxylic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC2=C(C=C1)NC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC2=C(C=C1)NC(=C2)C(=O)O

InChI

InChI=1S/C16H17NO4/c1-16(2,3)21-14(18)7-5-10-4-6-12-11(8-10)9-13(17-12)15(19)20/h4-9,17H,1-3H3,(H,19,20)/b7-5+