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

Systemtic Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-(4-piperidin-4-yloxyphenyl)ethanoic acid Openeye Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(4-piperidyloxy)phenyl]acetic acid CAS Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(4-piperidinyloxy)phenyl]acetic acid IUPAC Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-(4-piperidin-4-yloxyphenyl)acetic acid Traditional Name: 2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(4-piperidyloxy)phenyl]acetic acid Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)C(C(=O)O)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)C(C(=O)O)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C23H28N4O4/c24-23(25)27-12-9-15-1-6-20(13-17(15)14-27)31-21(22(28)29)16-2-4-18(5-3-16)30-19-7-10-26-11-8-19/h1-6,13,19,21,26H,7-12,14H2,(H3,24,25)(H,28,29)