2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(oxan-4-yloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(oxan-4-yloxy)phenyl]ethanoic acid Openeye Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-(4-tetrahydropyran-4-yloxyphenyl)acetic acid CAS Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(4-oxanyloxy)phenyl]acetic acid IUPAC Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(oxan-4-yloxy)phenyl]acetic acid Traditional Name: 2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-(4-tetrahydropyran-4-yloxyphenyl)acetic acid Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1OC2=CC=C(C=C2)C(C(=O)O)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

C1COCCC1OC2=CC=C(C=C2)C(C(=O)O)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C23H27N3O5/c24-23(25)26-10-7-15-1-6-20(13-17(15)14-26)31-21(22(27)28)16-2-4-18(5-3-16)30-19-8-11-29-12-9-19/h1-6,13,19,21H,7-12,14H2,(H3,24,25)(H,27,28)