4-[2-[ethanoyl-[(3-oxidanyl-4-phenyl-butyl)amino]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[ethanoyl-[(3-oxidanyl-4-phenyl-butyl)amino]amino]ethyl]benzoic acid Openeye Name: 4-[2-[acetyl-[(3-hydroxy-4-phenyl-butyl)amino]amino]ethyl]benzoic acid CAS Name: 4-[2-[acetyl-[(3-hydroxy-4-phenylbutyl)amino]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[acetyl-[(3-hydroxy-4-phenylbutyl)amino]amino]ethyl]benzoic acid Traditional Name: 4-[2-[acetyl-[(3-hydroxy-4-phenyl-butyl)amino]amino]ethyl]benzoic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(CC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)N(CCC1=CC=C(C=C1)C(=O)O)NCCC(CC2=CC=CC=C2)O

InChI

InChI=1S/C21H26N2O4/c1-16(24)23(14-12-17-7-9-19(10-8-17)21(26)27)22-13-11-20(25)15-18-5-3-2-4-6-18/h2-10,20,22,25H,11-15H2,1H3,(H,26,27)