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

Systemtic Name: tert-butyl (3S)-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(4-methoxyanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[(4-methoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O4/c1-22(2,3)28-21(26)24-14-16-8-6-5-7-15(16)13-19(24)20(25)23-17-9-11-18(27-4)12-10-17/h5-12,19H,13-14H2,1-4H3,(H,23,25)/t19-/m0/s1