ethyl (3S)-2-[(3-ethoxy-3-oxidanylidene-propyl)-prop-2-ynyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl (3S)-2-[(3-ethoxy-3-oxidanylidene-propyl)-prop-2-ynyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl (3S)-2-[(3-ethoxy-3-oxo-propyl)-prop-2-ynyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[[(3-ethoxy-3-oxopropyl)-prop-2-ynylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-2-[(3-ethoxy-3-oxopropyl)-prop-2-ynylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(3-ethoxy-3-keto-propyl)-propargyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC#C)C(=O)N1CC2=CC=CC=C2CC1C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-4-12-22(13-11-19(24)27-5-2)21(26)23-15-17-10-8-7-9-16(17)14-18(23)20(25)28-6-3/h1,7-10,18H,5-6,11-15H2,2-3H3/t18-/m0/s1