(3R)-3-[[2-methoxyethyl-(4-phenylphenyl)carbamoyl]amino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[[2-methoxyethyl-(4-phenylphenyl)carbamoyl]amino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[[2-methoxyethyl-(4-phenylphenyl)carbamoyl]amino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[[N-(2-methoxyethyl)-4-phenylanilino]-oxomethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[[2-methoxyethyl-(4-phenylphenyl)carbamoyl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[[2-methoxyethyl-(4-phenylphenyl)carbamoyl]amino]-4-(trimethylammonio)butyrate Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)N(CCOC)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)N(CCOC)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C23H31N3O4/c1-26(2,3)17-20(16-22(27)28)24-23(29)25(14-15-30-4)21-12-10-19(11-13-21)18-8-6-5-7-9-18/h5-13,20H,14-17H2,1-4H3,(H-,24,27,28,29)/t20-/m1/s1