ethyl (3R)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-5-phenyl-pentanoate

Systemtic Name: ethyl (3R)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-5-phenyl-pentanoate Openeye Name: ethyl (3R)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-5-phenyl-pentanoate CAS Name: (3R)-3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-5-phenylpentanoate Traditional Name: (3R)-3-[[2-(1-keto-7-piperazino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]-5-phenyl-valeric acid ethyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCC1=CC=CC=C1)NC(=O)CN2CCC3=C(C2=O)C=C(C=C3)N4CCNCC4

Isomeric SMILES

CCOC(=O)C[C@@H](CCC1=CC=CC=C1)NC(=O)CN2CCC3=C(C2=O)C=C(C=C3)N4CCNCC4

InChI

InChI=1S/C28H36N4O4/c1-2-36-27(34)18-23(10-8-21-6-4-3-5-7-21)30-26(33)20-32-15-12-22-9-11-24(19-25(22)28(32)35)31-16-13-29-14-17-31/h3-7,9,11,19,23,29H,2,8,10,12-18,20H2,1H3,(H,30,33)/t23-/m1/s1