tert-butyl 3-(4-methoxycarbonylphenyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(4-methoxycarbonylphenyl)-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-(4-methoxycarbonylphenyl)-1H-isoquinoline-2-carboxylate CAS Name: 3-(4-methoxycarbonylphenyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methoxycarbonylphenyl)-1H-isoquinoline-2-carboxylate Traditional Name: 3-(4-carbomethoxyphenyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C=C1C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C=C1C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23NO4/c1-22(2,3)27-21(25)23-14-18-8-6-5-7-17(18)13-19(23)15-9-11-16(12-10-15)20(24)26-4/h5-13H,14H2,1-4H3