2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3-methylbutoxy)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3-methylbutoxy)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-isopentyloxy-benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-(3-methylbutoxy)benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3-methylbutoxy)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-isoamoxy-benzoic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H27N3O4/c1-16(2)13-14-33-19-11-12-21(23(15-19)26(31)32)20-5-3-4-6-22(20)25(30)29-18-9-7-17(8-10-18)24(27)28/h3-12,15-16H,13-14H2,1-2H3,(H3,27,28)(H,29,30)(H,31,32)