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

Systemtic Name: tert-butyl (3S)-2-[ethyl-(3-methoxy-3-oxidanylidene-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (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 tert-butyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-6-22(12-11-18(24)27-5)20(26)23-14-16-10-8-7-9-15(16)13-17(23)19(25)28-21(2,3)4/h7-10,17H,6,11-14H2,1-5H3/t17-/m0/s1