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

Systemtic Name: methyl (3S)-2-[(3-methoxy-3-oxidanylidene-propyl)-propyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[(3-methoxy-3-oxo-propyl)-propyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-methoxy-3-oxopropyl)-propylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[(3-methoxy-3-oxopropyl)-propylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-keto-3-methoxy-propyl)-propyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-4-10-20(11-9-17(22)25-2)19(24)21-13-15-8-6-5-7-14(15)12-16(21)18(23)26-3/h5-8,16H,4,9-13H2,1-3H3/t16-/m0/s1