methyl 3-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoate Traditional Name: 2-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]-3-(3-amidinophenyl)propionic acid methyl ester Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)C(CC4=CC=CC(=C4)C(=N)N)C(=O)OC

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)C(CC4=CC=CC(=C4)C(=N)N)C(=O)OC

InChI

InChI=1S/C27H33N5O4/c1-17(28)31-11-9-21(10-12-31)36-22-6-7-23-19(16-22)8-13-32(26(23)33)24(27(34)35-2)15-18-4-3-5-20(14-18)25(29)30/h3-7,14,16,21,24,28H,8-13,15H2,1-2H3,(H3,29,30)