2-[3-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]indol-1-yl]acetic acid Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CN(C2=CC=CC=C21)CC(=O)O)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CN(C2=CC=CC=C21)CC(=O)O)/C#N

InChI

InChI=1S/C17H17N3O3/c1-11(2)19-17(23)12(8-18)7-13-9-20(10-16(21)22)15-6-4-3-5-14(13)15/h3-7,9,11H,10H2,1-2H3,(H,19,23)(H,21,22)/b12-7+