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

Systemtic Name: 2-[carboxy(3-phenylpropyl)amino]-5-(4-methoxyphenyl)pent-4-ynoic acid Openeye Name: 2-[carboxy(3-phenylpropyl)amino]-5-(4-methoxyphenyl)pent-4-ynoic acid CAS Name: 2-[carboxy(3-phenylpropyl)amino]-5-(4-methoxyphenyl)-4-pentynoic acid IUPAC Name: 2-[carboxy(3-phenylpropyl)amino]-5-(4-methoxyphenyl)pent-4-ynoic acid Traditional Name: 2-[carboxy(3-phenylpropyl)amino]-5-(4-methoxyphenyl)pent-4-ynoic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CCC(C(=O)O)N(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C#CCC(C(=O)O)N(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H23NO5/c1-28-19-14-12-18(13-15-19)9-5-11-20(21(24)25)23(22(26)27)16-6-10-17-7-3-2-4-8-17/h2-4,7-8,12-15,20H,6,10-11,16H2,1H3,(H,24,25)(H,26,27)