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

Systemtic Name: (phenylmethyl) (3S)-2-[(3-methoxy-3-oxidanylidene-propyl)-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: benzyl (3S)-2-[isopropyl-(3-methoxy-3-oxo-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-methoxy-3-oxopropyl)-propan-2-ylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-2-[(3-methoxy-3-oxopropyl)-propan-2-ylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[isopropyl-(3-keto-3-methoxy-propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid benzyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)OC)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCC(=O)OC)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-18(2)26(14-13-23(28)31-3)25(30)27-16-21-12-8-7-11-20(21)15-22(27)24(29)32-17-19-9-5-4-6-10-19/h4-12,18,22H,13-17H2,1-3H3/t22-/m0/s1