aminocarbonyl 2-(3-methoxy-3-oxidanylidene-propyl)-1-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: aminocarbonyl 2-(3-methoxy-3-oxidanylidene-propyl)-1-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: carbamoyl 2-(3-methoxy-3-oxo-propyl)-1-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(3-methoxy-3-oxopropyl)-1-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid carbamoyl ester IUPAC Name: carbamoyl 2-(3-methoxy-3-oxopropyl)-1-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(3-keto-3-methoxy-propyl)-1-propargyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid carbamoyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(CC2=CC=CC=C2C1CC#C)C(=O)OC(=O)N

Isomeric SMILES

COC(=O)CCN1C(CC2=CC=CC=C2C1CC#C)C(=O)OC(=O)N

InChI

InChI=1S/C18H20N2O5/c1-3-6-14-13-8-5-4-7-12(13)11-15(17(22)25-18(19)23)20(14)10-9-16(21)24-2/h1,4-5,7-8,14-15H,6,9-11H2,2H3,(H2,19,23)