(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate

Systemtic Name: (2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate Openeye Name: (2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl 4-[(1-ethanimidoyl-4-piperidyl)oxy]benzoate CAS Name: 4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]benzoic acid (2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl ester IUPAC Name: (2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl 4-(1-ethanimidoylpiperidin-4-yl)oxybenzoate Traditional Name: 4-[(1-acetimidoyl-4-piperidyl)oxy]benzoic acid (2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)methyl ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)OCC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)OCC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C25H31N5O3/c1-17(26)29-12-9-23(10-13-29)33-22-6-4-20(5-7-22)24(31)32-16-18-2-3-19-8-11-30(25(27)28)15-21(19)14-18/h2-7,14,23,26H,8-13,15-16H2,1H3,(H3,27,28)