phenyl 1-buta-2,3-dien-2-yl-1H-isoquinoline-2-carboxylate

Systemtic Name: phenyl 1-buta-2,3-dien-2-yl-1H-isoquinoline-2-carboxylate Openeye Name: phenyl 1-(1-methylpropa-1,2-dienyl)-1H-isoquinoline-2-carboxylate CAS Name: 1-buta-2,3-dien-2-yl-1H-isoquinoline-2-carboxylic acid phenyl ester IUPAC Name: phenyl 1-buta-2,3-dien-2-yl-1H-isoquinoline-2-carboxylate Traditional Name: 1-(1-methylpropa-1,2-dienyl)-1H-isoquinoline-2-carboxylic acid phenyl ester Formula: C20H17NO2 MolecularWeight: 303.35448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C=C)C1C2=CC=CC=C2C=CN1C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(=C=C)C1C2=CC=CC=C2C=CN1C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H17NO2/c1-3-15(2)19-18-12-8-7-9-16(18)13-14-21(19)20(22)23-17-10-5-4-6-11-17/h4-14,19H,1H2,2H3