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

Systemtic Name: tert-butyl 3-[[1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[2-(2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[2-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5/c1-16-11-12-22(33-6)20(13-16)28-23(30)17(2)27-24(31)21-14-18-9-7-8-10-19(18)15-29(21)25(32)34-26(3,4)5/h7-13,17,21H,14-15H2,1-6H3,(H,27,31)(H,28,30)