3-(3-carbamimidoylphenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[(4-isopropylphenyl)methoxymethyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[(4-isopropylbenzyl)oxymethyl]benzoic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C25H26N2O3/c1-16(2)19-8-6-17(7-9-19)14-30-15-18-10-22(13-23(11-18)25(28)29)20-4-3-5-21(12-20)24(26)27/h3-13,16H,14-15H2,1-2H3,(H3,26,27)(H,28,29)