3-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]-3-phenyl-propanoate

Systemtic Name: 3-[[3-[4-(3-methylbutoxy)phenyl]-3-oxidanylidene-propyl]azaniumyl]-3-phenyl-propanoate Openeye Name: 3-[[3-(4-isopentyloxyphenyl)-3-oxo-propyl]ammonio]-3-phenyl-propanoate CAS Name: 3-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]ammonio]-3-phenylpropanoate IUPAC Name: 3-[[3-[4-(3-methylbutoxy)phenyl]-3-oxopropyl]azaniumyl]-3-phenylpropanoate Traditional Name: 3-[[3-(4-isoamoxyphenyl)-3-keto-propyl]ammonio]-3-phenyl-propionate Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(CC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C23H29NO4/c1-17(2)13-15-28-20-10-8-19(9-11-20)22(25)12-14-24-21(16-23(26)27)18-6-4-3-5-7-18/h3-11,17,21,24H,12-16H2,1-2H3,(H,26,27)