4-[2-[4-(1,3-diethoxypropan-2-yl)phenyl]ethyl]-2-phenylazanyl-benzoic acid

Systemtic Name: 4-[2-[4-(1,3-diethoxypropan-2-yl)phenyl]ethyl]-2-phenylazanyl-benzoic acid Openeye Name: 2-anilino-4-[2-[4-[2-ethoxy-1-(ethoxymethyl)ethyl]phenyl]ethyl]benzoic acid CAS Name: 2-anilino-4-[2-[4-(1,3-diethoxypropan-2-yl)phenyl]ethyl]benzoic acid IUPAC Name: 2-anilino-4-[2-[4-(1,3-diethoxypropan-2-yl)phenyl]ethyl]benzoic acid Traditional Name: 2-anilino-4-[2-[4-[2-ethoxy-1-(ethoxymethyl)ethyl]phenyl]ethyl]benzoic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COCC)C1=CC=C(C=C1)CCC2=CC(=C(C=C2)C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

CCOCC(COCC)C1=CC=C(C=C1)CCC2=CC(=C(C=C2)C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C28H33NO4/c1-3-32-19-24(20-33-4-2)23-15-12-21(13-16-23)10-11-22-14-17-26(28(30)31)27(18-22)29-25-8-6-5-7-9-25/h5-9,12-18,24,29H,3-4,10-11,19-20H2,1-2H3,(H,30,31)