3-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)-propyl-amino]benzoic acid

Systemtic Name: 3-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-phenyl-3H-pyran-5-yl)-propyl-amino]benzoic acid Openeye Name: 3-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)-propyl-amino]benzoic acid CAS Name: 3-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)-propylamino]benzoic acid IUPAC Name: 3-[(6-hydroxy-4-oxo-2-phenethyl-2-phenyl-3H-pyran-5-yl)-propylamino]benzoic acid Traditional Name: 3-[(6-hydroxy-4-keto-2-phenethyl-2-phenyl-3H-pyran-5-yl)-propyl-amino]benzoic acid Formula: C29H29NO5 MolecularWeight: 471.54426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC(=C1)C(=O)O)C2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCN(C1=CC=CC(=C1)C(=O)O)C2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H29NO5/c1-2-18-30(24-15-9-12-22(19-24)27(32)33)26-25(31)20-29(35-28(26)34,23-13-7-4-8-14-23)17-16-21-10-5-3-6-11-21/h3-15,19,34H,2,16-18,20H2,1H3,(H,32,33)