2-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]ethanoic acid

Systemtic Name: 2-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]ethanoic acid Openeye Name: 2-(7-carbamimidoyl-2-naphthyl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]acetic acid CAS Name: 2-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]acetic acid IUPAC Name: 2-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]acetic acid Traditional Name: 2-[4-(1-acetimidoylpyrrolidin-3-yl)oxyphenyl]-2-(7-amidino-2-naphthyl)acetic acid Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)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(C1)OC2=CC=C(C=C2)C(C3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H26N4O3/c1-15(26)29-11-10-22(14-29)32-21-8-6-17(7-9-21)23(25(30)31)18-4-2-16-3-5-19(24(27)28)13-20(16)12-18/h2-9,12-13,22-23,26H,10-11,14H2,1H3,(H3,27,28)(H,30,31)