2-[[4-[4-(methylamino)butyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[4-(methylamino)butyl]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-hydroxy-4-[4-(methylamino)butyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-hydroxy-4-[4-(methylamino)butyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-hydroxy-4-[4-(methylamino)butyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-hydroxy-4-[4-(methylamino)butyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC1=CC(=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CNCCCCC1=CC(=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)O

InChI

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