tert-butyl (3S)-3-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(2-methoxy-5-methylanilino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2-methoxy-5-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[(2-methoxy-5-methyl-phenyl)carbamoyl]-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:

CC1=CC(=C(C=C1)OC)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O4/c1-15-10-11-20(28-5)18(12-15)24-21(26)19-13-16-8-6-7-9-17(16)14-25(19)22(27)29-23(2,3)4/h6-12,19H,13-14H2,1-5H3,(H,24,26)/t19-/m0/s1