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

Systemtic Name: ethyl (3S)-2-[(3-butoxy-3-oxidanylidene-propyl)-propan-2-yl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCN(C(C)C)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-5-7-14-30-21(26)12-13-24(17(3)4)23(28)25-16-19-11-9-8-10-18(19)15-20(25)22(27)29-6-2/h8-11,17,20H,5-7,12-16H2,1-4H3/t20-/m0/s1