3-[2-[[1-(4-dimethylaminophenyl)-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[[1-(4-dimethylaminophenyl)-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[1-(4-dimethylaminophenyl)-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[1-(4-dimethylaminophenyl)-3-methylbutyl]amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(4-dimethylaminophenyl)-3-methylbutyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[1-(4-dimethylaminophenyl)-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=C(C=C1)N(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=C(C=C1)N(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C30H36N2O4/c1-21(2)18-28(24-12-15-25(16-13-24)32(3)4)31-30(35)27-19-22(10-11-23(27)14-17-29(33)34)20-36-26-8-6-5-7-9-26/h5-13,15-16,19,21,28H,14,17-18,20H2,1-4H3,(H,31,35)(H,33,34)