3-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]-4-methyl-benzoic acid Openeye Name: 3-[[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]carbamoyl]-4-methyl-benzoic acid CAS Name: 3-[[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-oxomethyl]-4-methylbenzoic acid IUPAC Name: 3-[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]carbamoyl]-4-methylbenzoic acid Traditional Name: 3-[[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]carbamoyl]-4-methyl-benzoic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C27H30N2O5/c1-18-11-12-21(27(32)33)15-23(18)26(31)29-24(14-19-7-4-3-5-8-19)25(30)17-28-16-20-9-6-10-22(13-20)34-2/h3-13,15,24-25,28,30H,14,16-17H2,1-2H3,(H,29,31)(H,32,33)