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

Systemtic Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-ethanoylpiperidin-4-yl)oxyphenyl]ethanoic acid Openeye Name: 2-[4-[(1-acetyl-4-piperidyl)oxy]phenyl]-2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid CAS Name: 2-[4-[(1-acetyl-4-piperidinyl)oxy]phenyl]-2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid IUPAC Name: 2-[4-(1-acetylpiperidin-4-yl)oxyphenyl]-2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid Traditional Name: 2-[4-[(1-acetyl-4-piperidyl)oxy]phenyl]-2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]acetic acid Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5/c1-16(30)28-12-9-21(10-13-28)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-29(25(26)27)15-19(17)14-22/h2-7,14,21,23H,8-13,15H2,1H3,(H3,26,27)(H,31,32)