(E)-3-(6-butyl-4-oxidanylidene-1H-quinolin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-butyl-4-oxidanylidene-1H-quinolin-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-butyl-4-oxo-1H-quinolin-3-yl)prop-2-enoic acid CAS Name: (E)-3-(6-butyl-4-oxo-1H-quinolin-3-yl)-2-propenoic acid IUPAC Name: (E)-3-(6-butyl-4-oxo-1H-quinolin-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(6-butyl-4-keto-1H-quinolin-3-yl)acrylic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC=C(C2=O)C=CC(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC=C(C2=O)/C=C/C(=O)O

InChI

InChI=1S/C16H17NO3/c1-2-3-4-11-5-7-14-13(9-11)16(20)12(10-17-14)6-8-15(18)19/h5-10H,2-4H2,1H3,(H,17,20)(H,18,19)/b8-6+