ethyl 1-[(E)-2-phenylethenyl]-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylate

Systemtic Name: ethyl 1-[(E)-2-phenylethenyl]-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylate Openeye Name: ethyl 1-[(E)-styryl]-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-2-phenylethenyl]-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylate Traditional Name: 1-[(E)-styryl]-1,2,6,7,8,8a-hexahydroisoquinoline-4-carboxylic acid ethyl ester Formula: C20H23NO2 MolecularWeight: 309.40212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(C2C1=CCCC2)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CNC(C2C1=CCCC2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c1-2-23-20(22)18-14-21-19(17-11-7-6-10-16(17)18)13-12-15-8-4-3-5-9-15/h3-5,8-10,12-14,17,19,21H,2,6-7,11H2,1H3/b13-12+