methyl 7-methoxy-3-methyl-1-[2-(4-methylphenyl)ethynyl]-2-prop-2-enyl-1H-isoquinoline-4-carboxylate

Systemtic Name: methyl 7-methoxy-3-methyl-1-[2-(4-methylphenyl)ethynyl]-2-prop-2-enyl-1H-isoquinoline-4-carboxylate Openeye Name: methyl 2-allyl-7-methoxy-3-methyl-1-[2-(p-tolyl)ethynyl]-1H-isoquinoline-4-carboxylate CAS Name: 7-methoxy-3-methyl-1-[2-(4-methylphenyl)ethynyl]-2-prop-2-enyl-1H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-3-methyl-1-[2-(4-methylphenyl)ethynyl]-2-prop-2-enyl-1H-isoquinoline-4-carboxylate Traditional Name: 2-allyl-7-methoxy-3-methyl-1-[2-(p-tolyl)ethynyl]-1H-isoquinoline-4-carboxylic acid methyl ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2C3=C(C=CC(=C3)OC)C(=C(N2CC=C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2C3=C(C=CC(=C3)OC)C(=C(N2CC=C)C)C(=O)OC

InChI

InChI=1S/C25H25NO3/c1-6-15-26-18(3)24(25(27)29-5)21-13-12-20(28-4)16-22(21)23(26)14-11-19-9-7-17(2)8-10-19/h6-10,12-13,16,23H,1,15H2,2-5H3