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

Systemtic Name: methyl (3S)-2-[cyclopropyl-(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[cyclopropyl-(3-methoxy-3-oxo-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[cyclopropyl-(3-methoxy-3-oxopropyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[cyclopropyl-(3-methoxy-3-oxopropyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[cyclopropyl-(3-keto-3-methoxy-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(C1CC1)C(=O)N2CC3=CC=CC=C3CC2C(=O)OC

Isomeric SMILES

COC(=O)CCN(C1CC1)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)OC

InChI

InChI=1S/C19H24N2O5/c1-25-17(22)9-10-20(15-7-8-15)19(24)21-12-14-6-4-3-5-13(14)11-16(21)18(23)26-2/h3-6,15-16H,7-12H2,1-2H3/t16-/m0/s1