2-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]ethanoic acid

Systemtic Name: 2-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]ethanoic acid Openeye Name: 2-(7-carbamimidoyl-2-naphthyl)-2-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]acetic acid CAS Name: 2-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]acetic acid IUPAC Name: 2-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]acetic acid Traditional Name: 2-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-2-(7-amidino-2-naphthyl)acetic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-16(27)30-12-10-23(11-13-30)33-22-8-6-18(7-9-22)24(26(31)32)19-4-2-17-3-5-20(25(28)29)15-21(17)14-19/h2-9,14-15,23-24,27H,10-13H2,1H3,(H3,28,29)(H,31,32)