(phenylmethyl) 3-[[2-(3-ethoxy-3-oxidanylidene-propyl)-3,4-dihydro-1H-isoquinolin-1-yl]-piperidin-4-yloxy-amino]-3-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-[[2-(3-ethoxy-3-oxidanylidene-propyl)-3,4-dihydro-1H-isoquinolin-1-yl]-piperidin-4-yloxy-amino]-3-oxidanylidene-propanoate Openeye Name: benzyl 3-[[2-(3-ethoxy-3-oxo-propyl)-3,4-dihydro-1H-isoquinolin-1-yl]-(4-piperidyloxy)amino]-3-oxo-propanoate CAS Name: 3-[[2-(3-ethoxy-3-oxopropyl)-3,4-dihydro-1H-isoquinolin-1-yl]-(4-piperidinyloxy)amino]-3-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[2-(3-ethoxy-3-oxopropyl)-3,4-dihydro-1H-isoquinolin-1-yl]-piperidin-4-yloxyamino]-3-oxopropanoate Traditional Name: 3-[[2-(3-ethoxy-3-keto-propyl)-3,4-dihydro-1H-isoquinolin-1-yl]-(4-piperidyloxy)amino]-3-keto-propionic acid benzyl ester Formula: C29H37N3O6 MolecularWeight: 523.62058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC2=CC=CC=C2C1N(C(=O)CC(=O)OCC3=CC=CC=C3)OC4CCNCC4

Isomeric SMILES

CCOC(=O)CCN1CCC2=CC=CC=C2C1N(C(=O)CC(=O)OCC3=CC=CC=C3)OC4CCNCC4

InChI

InChI=1S/C29H37N3O6/c1-2-36-27(34)15-19-31-18-14-23-10-6-7-11-25(23)29(31)32(38-24-12-16-30-17-13-24)26(33)20-28(35)37-21-22-8-4-3-5-9-22/h3-11,24,29-30H,2,12-21H2,1H3