4-[5-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(4-isopropyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(4-isopropyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCOC2=C1C=CC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)N1CCOC2=C1C=CC(=C2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H22N2O3/c1-14(2)24-11-12-27-21-13-17(7-10-20(21)24)19-9-8-18(23-19)15-3-5-16(6-4-15)22(25)26/h3-10,13-14,23H,11-12H2,1-2H3,(H,25,26)