2-[carboxy(3-phenylpropyl)amino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[carboxy(3-phenylpropyl)amino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[carboxy(3-phenylpropyl)amino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[carboxy(3-phenylpropyl)amino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[carboxy(3-phenylpropyl)amino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[carboxy(3-phenylpropyl)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)CCCN(C(CC#CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN(C(CC#CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

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