methyl (3R)-2-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CC3=CC=CC=C3C[C@@H]2C(=O)OC

InChI

InChI=1S/C22H25N3O5/c1-14(26)23-17-8-9-20(29-2)18(11-17)24-21(27)13-25-12-16-7-5-4-6-15(16)10-19(25)22(28)30-3/h4-9,11,19H,10,12-13H2,1-3H3,(H,23,26)(H,24,27)/t19-/m1/s1