(3S)-2-[(3-methoxy-3-oxidanylidene-propyl)-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[(3-methoxy-3-oxidanylidene-propyl)-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[isopropyl-(3-methoxy-3-oxo-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[(3-methoxy-3-oxopropyl)-propan-2-ylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(3-methoxy-3-oxopropyl)-propan-2-ylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[isopropyl-(3-keto-3-methoxy-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-12(2)19(9-8-16(21)25-3)18(24)20-11-14-7-5-4-6-13(14)10-15(20)17(22)23/h4-7,12,15H,8-11H2,1-3H3,(H,22,23)/t15-/m0/s1