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

Systemtic Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]ethanoate Openeye Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]acetate CAS Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[[1-(1-iminopropyl)-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-propanimidoylpiperidin-4-yl)oxyphenyl]acetate Traditional Name: 2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]acetic acid ethyl ester Formula: C28H37N5O4 MolecularWeight: 507.62448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(C(=O)OCC)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(C(=O)OCC)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C28H37N5O4/c1-3-25(29)32-15-12-23(13-16-32)36-22-8-6-20(7-9-22)26(27(34)35-4-2)37-24-10-5-19-11-14-33(28(30)31)18-21(19)17-24/h5-10,17,23,26,29H,3-4,11-16,18H2,1-2H3,(H3,30,31)