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

Systemtic Name: (phenylmethyl) (3S)-2-[(3-butoxy-3-oxidanylidene-propyl)-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: benzyl (3S)-2-[(3-butoxy-3-oxo-propyl)-isopropyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-butoxy-3-oxopropyl)-propan-2-ylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-2-[(3-butoxy-3-oxopropyl)-propan-2-ylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-butoxy-3-keto-propyl)-isopropyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid benzyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O5/c1-4-5-17-34-26(31)15-16-29(21(2)3)28(33)30-19-24-14-10-9-13-23(24)18-25(30)27(32)35-20-22-11-7-6-8-12-22/h6-14,21,25H,4-5,15-20H2,1-3H3/t25-/m0/s1