ethyl (3S)-3-[2-(1-oxidanylidene-7-piperidin-4-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pent-4-ynoate

Systemtic Name: ethyl (3S)-3-[2-(1-oxidanylidene-7-piperidin-4-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pent-4-ynoate Openeye Name: ethyl (3S)-3-[[2-[1-oxo-7-(4-piperidyl)-3,4-dihydroisoquinolin-2-yl]acetyl]amino]pent-4-ynoate CAS Name: (3S)-3-[[1-oxo-2-[1-oxo-7-(4-piperidinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]-4-pentynoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[2-(1-oxo-7-piperidin-4-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate Traditional Name: (3S)-3-[[2-[1-keto-7-(4-piperidyl)-3,4-dihydroisoquinolin-2-yl]acetyl]amino]pent-4-ynoic acid ethyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#C)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)C3CCNCC3

Isomeric SMILES

CCOC(=O)C[C@@H](C#C)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)C3CCNCC3

InChI

InChI=1S/C23H29N3O4/c1-3-19(14-22(28)30-4-2)25-21(27)15-26-12-9-17-5-6-18(13-20(17)23(26)29)16-7-10-24-11-8-16/h1,5-6,13,16,19,24H,4,7-12,14-15H2,2H3,(H,25,27)/t19-/m1/s1