methyl 2-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate

Systemtic Name: methyl 2-[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Openeye Name: methyl 2-[2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate CAS Name: 2-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate Traditional Name: 2-[2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-6-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)CN2CCC3=C(C2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCC3=C(C2)C=CC(=C3)C(=O)OC

InChI

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