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

Systemtic Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]ethanoic acid Openeye Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]acetic acid CAS Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]acetic acid IUPAC Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]acetic acid Traditional Name: 2-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4/c1-16(26)29-12-9-21(10-13-29)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-30(25(27)28)15-19(17)14-22/h2-7,14,21,23,26H,8-13,15H2,1H3,(H3,27,28)(H,31,32)