2-[3,4-bis(azanyl)-2-(4-propan-2-ylphenyl)carbonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3,4-bis(azanyl)-2-(4-propan-2-ylphenyl)carbonyl-phenyl]ethanoic acid Openeye Name: 2-[3,4-diamino-2-(4-isopropylbenzoyl)phenyl]acetic acid CAS Name: 2-[3,4-diamino-2-[oxo-(4-propan-2-ylphenyl)methyl]phenyl]acetic acid IUPAC Name: 2-[3,4-diamino-2-(4-propan-2-ylbenzoyl)phenyl]acetic acid Traditional Name: 2-(3,4-diamino-2-cumoyl-phenyl)acetic acid Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2N)N)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2N)N)CC(=O)O

InChI

InChI=1S/C18H20N2O3/c1-10(2)11-3-5-12(6-4-11)18(23)16-13(9-15(21)22)7-8-14(19)17(16)20/h3-8,10H,9,19-20H2,1-2H3,(H,21,22)