4-[(5Z)-5-(3-propan-2-yl-2-propyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[(5Z)-5-(3-propan-2-yl-2-propyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid Openeye Name: 4-[(5Z)-5-(3-isopropyl-2-propyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid CAS Name: 4-[(5Z)-5-(3-propan-2-yl-2-propyl-1H-pyrazol-5-ylidene)-2-pyrrolyl]benzoic acid IUPAC Name: 4-[(5Z)-5-(3-propan-2-yl-2-propyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]benzoic acid Traditional Name: 4-[(5Z)-5-(5-isopropyl-1-propyl-3-pyrazolin-3-ylidene)pyrrol-2-yl]benzoic acid Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C2C=CC(=N2)C3=CC=C(C=C3)C(=O)O)N1)C(C)C

Isomeric SMILES

CCCN1C(=C/C(=C/2\C=CC(=N2)C3=CC=C(C=C3)C(=O)O)/N1)C(C)C

InChI

InChI=1S/C20H23N3O2/c1-4-11-23-19(13(2)3)12-18(22-23)17-10-9-16(21-17)14-5-7-15(8-6-14)20(24)25/h5-10,12-13,22H,4,11H2,1-3H3,(H,24,25)/b18-17-