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

Systemtic Name: (phenylmethyl) (3S)-2-[(3-ethoxy-3-oxidanylidene-propyl)-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: benzyl (3S)-2-[(3-ethoxy-3-oxo-propyl)-isopropyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-ethoxy-3-oxopropyl)-propan-2-ylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-2-[(3-ethoxy-3-oxopropyl)-propan-2-ylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-ethoxy-3-keto-propyl)-isopropyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid benzyl ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5/c1-4-32-24(29)14-15-27(19(2)3)26(31)28-17-22-13-9-8-12-21(22)16-23(28)25(30)33-18-20-10-6-5-7-11-20/h5-13,19,23H,4,14-18H2,1-3H3/t23-/m0/s1