methyl (3S)-2-[ethyl-(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[ethyl-(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[ethyl-(3-methoxy-3-oxo-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[ethyl-(3-methoxy-3-oxopropyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[ethyl-(3-methoxy-3-oxopropyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[ethyl-(3-keto-3-methoxy-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OC)C(=O)N1CC2=CC=CC=C2CC1C(=O)OC

Isomeric SMILES

CCN(CCC(=O)OC)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC

InChI

InChI=1S/C18H24N2O5/c1-4-19(10-9-16(21)24-2)18(23)20-12-14-8-6-5-7-13(14)11-15(20)17(22)25-3/h5-8,15H,4,9-12H2,1-3H3/t15-/m0/s1