N-(3-azanyl-4-methanoyl-phenyl)butanamide; 2-(4-bromophenyl)ethanoic acid

Systemtic Name: N-(3-azanyl-4-methanoyl-phenyl)butanamide; 2-(4-bromophenyl)ethanoic acid Openeye Name: N-(3-amino-4-formyl-phenyl)butanamide; 2-(4-bromophenyl)acetic acid CAS Name: N-(3-amino-4-formylphenyl)butanamide; 2-(4-bromophenyl)acetic acid IUPAC Name: N-(3-amino-4-formylphenyl)butanamide; 2-(4-bromophenyl)acetic acid Traditional Name: N-(3-amino-4-formyl-phenyl)butyramide; 2-(4-bromophenyl)acetic acid Formula: C19H21BrN2O4 MolecularWeight: 421.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)C=O)N.C1=CC(=CC=C1CC(=O)O)Br

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)C=O)N.C1=CC(=CC=C1CC(=O)O)Br

InChI

InChI=1S/C11H14N2O2.C8H7BrO2/c1-2-3-11(15)13-9-5-4-8(7-14)10(12)6-9;9-7-3-1-6(2-4-7)5-8(10)11/h4-7H,2-3,12H2,1H3,(H,13,15);1-4H,5H2,(H,10,11)