2-[[3-(dimethylamino)-2,2-dimethyl-3-oxidanylidene-propanoyl]amino]-3-(4-phenoxyphenyl)propanoic acid

Systemtic Name: 2-[[3-(dimethylamino)-2,2-dimethyl-3-oxidanylidene-propanoyl]amino]-3-(4-phenoxyphenyl)propanoic acid Openeye Name: 2-[[3-(dimethylamino)-2,2-dimethyl-3-oxo-propanoyl]amino]-3-(4-phenoxyphenyl)propanoic acid CAS Name: 2-[[3-(dimethylamino)-2,2-dimethyl-1,3-dioxopropyl]amino]-3-(4-phenoxyphenyl)propanoic acid IUPAC Name: 2-[[3-(dimethylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-3-(4-phenoxyphenyl)propanoic acid Traditional Name: 2-[[3-(dimethylamino)-3-keto-2,2-dimethyl-propanoyl]amino]-3-(4-phenoxyphenyl)propionic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O)C(=O)N(C)C

Isomeric SMILES

CC(C)(C(=O)NC(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O)C(=O)N(C)C

InChI

InChI=1S/C22H26N2O5/c1-22(2,21(28)24(3)4)20(27)23-18(19(25)26)14-15-10-12-17(13-11-15)29-16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3,(H,23,27)(H,25,26)