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

Systemtic Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]ethanoic acid Openeye Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[(1-carbamimidoyl-4-piperidyl)oxy]phenyl]acetic acid CAS Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[(1-carbamimidoyl-4-piperidinyl)oxy]phenyl]acetic acid IUPAC Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]acetic acid Traditional Name: 2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-[(1-amidino-4-piperidyl)oxy]phenyl]acetic acid Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(C(=O)O)OC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(C(=O)O)OC3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=N)N

InChI

InChI=1S/C24H30N6O4/c25-23(26)29-11-8-19(9-12-29)33-18-4-2-16(3-5-18)21(22(31)32)34-20-6-1-15-7-10-30(24(27)28)14-17(15)13-20/h1-6,13,19,21H,7-12,14H2,(H3,25,26)(H3,27,28)(H,31,32)