4-[[2-[(4-azanyl-3-methoxy-phenyl)carbonyl-methyl-amino]-5-methyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[(4-azanyl-3-methoxy-phenyl)carbonyl-methyl-amino]-5-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(4-amino-3-methoxy-benzoyl)-methyl-amino]-5-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[[(4-amino-3-methoxyphenyl)-oxomethyl]-methylamino]-5-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(4-amino-3-methoxybenzoyl)-methylamino]-5-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(4-amino-3-methoxy-benzoyl)-methyl-amino]-5-methyl-phenoxy]methyl]benzoic acid Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)N)OC)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)N)OC)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H24N2O5/c1-15-4-11-20(26(2)23(27)18-9-10-19(25)21(13-18)30-3)22(12-15)31-14-16-5-7-17(8-6-16)24(28)29/h4-13H,14,25H2,1-3H3,(H,28,29)