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

Systemtic Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]ethanoate Openeye Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]acetate CAS Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]acetate Traditional Name: 2-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid ethyl ester Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O4/c1-3-34-26(33)25(36-24-9-4-19-10-13-32(27(29)30)17-21(19)16-24)20-5-7-22(8-6-20)35-23-11-14-31(15-12-23)18(2)28/h4-9,16,23,25,28H,3,10-15,17H2,1-2H3,(H3,29,30)