2-methylpropan-1-amine; 2-[4-(2-methylpropyl)-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 2-methylpropan-1-amine; 2-[4-(2-methylpropyl)-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 2-(2-hydroxy-4-isobutyl-benzoyl)benzoic acid; 2-methylpropan-1-amine CAS Name: 2-[[2-hydroxy-4-(2-methylpropyl)phenyl]-oxomethyl]benzoic acid; 2-methyl-1-propanamine IUPAC Name: 2-[2-hydroxy-4-(2-methylpropyl)benzoyl]benzoic acid; 2-methylpropan-1-amine Traditional Name: 2-(2-hydroxy-4-isobutyl-benzoyl)benzoic acid; isobutylamine Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.CC(C)CN

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O.CC(C)CN

InChI

InChI=1S/C18H18O4.C4H11N/c1-11(2)9-12-7-8-15(16(19)10-12)17(20)13-5-3-4-6-14(13)18(21)22;1-4(2)3-5/h3-8,10-11,19H,9H2,1-2H3,(H,21,22);4H,3,5H2,1-2H3