butan-1-amine; 2-(2-oxidanyl-4-propyl-phenyl)carbonylbenzoic acid

Systemtic Name: butan-1-amine; 2-(2-oxidanyl-4-propyl-phenyl)carbonylbenzoic acid Openeye Name: butan-1-amine; 2-(2-hydroxy-4-propyl-benzoyl)benzoic acid CAS Name: 1-butanamine; 2-[(2-hydroxy-4-propylphenyl)-oxomethyl]benzoic acid IUPAC Name: butan-1-amine; 2-(2-hydroxy-4-propylbenzoyl)benzoic acid Traditional Name: butylamine; 2-(2-hydroxy-4-propyl-benzoyl)benzoic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCCCN.CCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C17H16O4.C4H11N/c1-2-5-11-8-9-14(15(18)10-11)16(19)12-6-3-4-7-13(12)17(20)21;1-2-3-4-5/h3-4,6-10,18H,2,5H2,1H3,(H,20,21);2-5H2,1H3