3-[3-[2-[4-(2-azanylethoxy)-3-methoxy-phenyl]ethanoylamino]phenyl]benzoic acid

Systemtic Name: 3-[3-[2-[4-(2-azanylethoxy)-3-methoxy-phenyl]ethanoylamino]phenyl]benzoic acid Openeye Name: 3-[3-[[2-[4-(2-aminoethoxy)-3-methoxy-phenyl]acetyl]amino]phenyl]benzoic acid CAS Name: 3-[3-[[2-[4-(2-aminoethoxy)-3-methoxyphenyl]-1-oxoethyl]amino]phenyl]benzoic acid IUPAC Name: 3-[3-[[2-[4-(2-aminoethoxy)-3-methoxyphenyl]acetyl]amino]phenyl]benzoic acid Traditional Name: 3-[3-[[2-[4-(2-aminoethoxy)-3-methoxy-phenyl]acetyl]amino]phenyl]benzoic acid Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O)OCCN

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O)OCCN

InChI

InChI=1S/C24H24N2O5/c1-30-22-12-16(8-9-21(22)31-11-10-25)13-23(27)26-20-7-3-5-18(15-20)17-4-2-6-19(14-17)24(28)29/h2-9,12,14-15H,10-11,13,25H2,1H3,(H,26,27)(H,28,29)