(phenylmethyl) 3-[[2-(3-ethoxy-3-oxidanylidene-propyl)-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]-piperidin-4-yloxy-amino]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[[2-(3-ethoxy-3-oxidanylidene-propyl)-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]-piperidin-4-yloxy-amino]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-[[2-(3-ethoxy-3-oxo-propyl)-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]-(4-piperidyloxy)amino]-3-oxo-propanoate CAS Name: 3-[[2-(3-ethoxy-3-oxopropyl)-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]-(4-piperidinyloxy)amino]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[2-(3-ethoxy-3-oxopropyl)-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]-piperidin-4-yloxyamino]-3-oxopropanoate Traditional Name: 3-[[2-(3-ethoxy-3-keto-propyl)-3,3-dimethyl-1,4-dihydroisoquinolin-1-yl]-(4-piperidyloxy)amino]-3-keto-propionic acid benzyl ester Formula: C31H41N3O6 MolecularWeight: 551.67374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(C2=CC=CC=C2CC1(C)C)N(C(=O)CC(=O)OCC3=CC=CC=C3)OC4CCNCC4

Isomeric SMILES

CCOC(=O)CCN1C(C2=CC=CC=C2CC1(C)C)N(C(=O)CC(=O)OCC3=CC=CC=C3)OC4CCNCC4

InChI

InChI=1S/C31H41N3O6/c1-4-38-28(36)16-19-33-30(26-13-9-8-12-24(26)21-31(33,2)3)34(40-25-14-17-32-18-15-25)27(35)20-29(37)39-22-23-10-6-5-7-11-23/h5-13,25,30,32H,4,14-22H2,1-3H3