2-(2H-chromen-3-yl)-3-(4-phenylpiperazin-1-yl)-2-(2,3,5-trimethyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-(2H-chromen-3-yl)-3-(4-phenylpiperazin-1-yl)-2-(2,3,5-trimethyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(2H-chromen-3-yl)-2-(4-hydroxy-2,3,5-trimethyl-phenyl)-3-(4-phenylpiperazin-1-yl)propanoic acid CAS Name: 2-(2H-1-benzopyran-3-yl)-2-(4-hydroxy-2,3,5-trimethylphenyl)-3-(4-phenyl-1-piperazinyl)propanoic acid IUPAC Name: 2-(2H-chromen-3-yl)-2-(4-hydroxy-2,3,5-trimethylphenyl)-3-(4-phenylpiperazin-1-yl)propanoic acid Traditional Name: 2-(2H-chromen-3-yl)-2-(4-hydroxy-2,3,5-trimethyl-phenyl)-3-(4-phenylpiperazino)propionic acid Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(CN2CCN(CC2)C3=CC=CC=C3)(C4=CC5=CC=CC=C5OC4)C(=O)O)C)C)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(CN2CCN(CC2)C3=CC=CC=C3)(C4=CC5=CC=CC=C5OC4)C(=O)O)C)C)O

InChI

InChI=1S/C31H34N2O4/c1-21-17-27(22(2)23(3)29(21)34)31(30(35)36,25-18-24-9-7-8-12-28(24)37-19-25)20-32-13-15-33(16-14-32)26-10-5-4-6-11-26/h4-12,17-18,34H,13-16,19-20H2,1-3H3,(H,35,36)