ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-ethanoylpiperidin-4-yl)oxyphenyl]ethanoate

Systemtic Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-ethanoylpiperidin-4-yl)oxyphenyl]ethanoate Openeye Name: ethyl 2-[4-[(1-acetyl-4-piperidyl)oxy]phenyl]-2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetate CAS Name: 2-[4-[(1-acetyl-4-piperidinyl)oxy]phenyl]-2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetate Traditional Name: 2-[4-[(1-acetyl-4-piperidyl)oxy]phenyl]-2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid ethyl ester Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H34N4O5/c1-3-34-26(33)25(36-24-9-4-19-10-13-31(27(28)29)17-21(19)16-24)20-5-7-22(8-6-20)35-23-11-14-30(15-12-23)18(2)32/h4-9,16,23,25H,3,10-15,17H2,1-2H3,(H3,28,29)