3-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid; morpholine

Systemtic Name: 3-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid; morpholine Openeye Name: 3-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid; morpholine CAS Name: 3-(2-methyl-5-phenyl-1-pyrrolyl)benzoic acid; morpholine IUPAC Name: 3-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid; morpholine Traditional Name: 3-(2-methyl-5-phenyl-pyrrol-1-yl)benzoic acid; morpholine Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3.C1COCCN1

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3.C1COCCN1

InChI

InChI=1S/C18H15NO2.C4H9NO/c1-13-10-11-17(14-6-3-2-4-7-14)19(13)16-9-5-8-15(12-16)18(20)21;1-3-6-4-2-5-1/h2-12H,1H3,(H,20,21);5H,1-4H2