prop-2-enyl 4-[4-[1-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-ethoxy-2-oxidanylidene-ethyl]phenoxy]piperidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-[4-[1-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-ethoxy-2-oxidanylidene-ethyl]phenoxy]piperidine-1-carboxylate Openeye Name: allyl 4-[4-[1-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-ethoxy-2-oxo-ethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[1-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-ethoxy-2-oxoethyl]phenoxy]-1-piperidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-[1-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-ethoxy-2-oxoethyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[1-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-ethoxy-2-keto-ethyl]phenoxy]piperidine-1-carboxylic acid allyl ester Formula: C29H36N4O6 MolecularWeight: 536.61934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)OCC=C)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(CC2)C(=O)OCC=C)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C29H36N4O6/c1-3-17-37-29(35)32-15-12-24(13-16-32)38-23-8-6-21(7-9-23)26(27(34)36-4-2)39-25-10-5-20-11-14-33(28(30)31)19-22(20)18-25/h3,5-10,18,24,26H,1,4,11-17,19H2,2H3,(H3,30,31)