3-phenyl-2-(10-prop-2-ynoxydecanoylamino)propanoic acid

Systemtic Name: 3-phenyl-2-(10-prop-2-ynoxydecanoylamino)propanoic acid Openeye Name: 3-phenyl-2-(10-prop-2-ynoxydecanoylamino)propanoic acid CAS Name: 2-[(1-oxo-10-prop-2-ynoxydecyl)amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-(10-prop-2-ynoxydecanoylamino)propanoic acid Traditional Name: 3-phenyl-2-(10-propargyloxydecanoylamino)propionic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C#CCOCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C22H31NO4/c1-2-16-27-17-12-7-5-3-4-6-11-15-21(24)23-20(22(25)26)18-19-13-9-8-10-14-19/h1,8-10,13-14,20H,3-7,11-12,15-18H2,(H,23,24)(H,25,26)