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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(CC#CC1=CC=C(C=C1)OC)C(=O)O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CN(C(CC#CC1=CC=C(C=C1)OC)C(=O)O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H23NO5/c1-16(18-8-4-3-5-9-18)15-23(22(26)27)20(21(24)25)10-6-7-17-11-13-19(28-2)14-12-17/h3-5,8-9,11-14,16,20H,10,15H2,1-2H3,(H,24,25)(H,26,27)