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

Systemtic Name: (phenylmethyl) (3S)-2-[(3-ethoxy-3-oxidanylidene-propyl)-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: benzyl (3S)-2-[(3-ethoxy-3-oxo-propyl)-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-ethoxy-3-oxopropyl)-methylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-2-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-ethoxy-3-keto-propyl)-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid benzyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN(C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5/c1-3-30-22(27)13-14-25(2)24(29)26-16-20-12-8-7-11-19(20)15-21(26)23(28)31-17-18-9-5-4-6-10-18/h4-12,21H,3,13-17H2,1-2H3/t21-/m0/s1