2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[(1-carboxy-3-phenyl-propyl)amino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[(1-carboxy-3-phenyl-propyl)amino]-5-phenyl-pent-4-ynoic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC(CC#CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NC(CC#CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H21NO4/c23-20(24)18(13-7-12-16-8-3-1-4-9-16)22-19(21(25)26)15-14-17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,13-15H2,(H,23,24)(H,25,26)