tert-butyl 3-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[(4-methoxyphenyl)methylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(p-anisylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O4/c1-23(2,3)29-22(27)25-15-18-8-6-5-7-17(18)13-20(25)21(26)24-14-16-9-11-19(28-4)12-10-16/h5-12,20H,13-15H2,1-4H3,(H,24,26)