3-[[4-[(4-cyclohexylphenyl)-(naphthalen-2-yloxymethylcarbamoylamino)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)-(naphthalen-2-yloxymethylcarbamoylamino)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-(2-naphthyloxymethylcarbamoylamino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[(2-naphthalenyloxymethylamino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-(naphthalen-2-yloxymethylcarbamoylamino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-(2-naphthoxymethylcarbamoylamino)methyl]benzoyl]amino]propionic acid Formula: C35H37N3O5 MolecularWeight: 579.68538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NCOC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NCOC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C35H37N3O5/c39-32(40)20-21-36-34(41)29-16-14-28(15-17-29)33(27-12-10-26(11-13-27)24-6-2-1-3-7-24)38-35(42)37-23-43-31-19-18-25-8-4-5-9-30(25)22-31/h4-5,8-19,22,24,33H,1-3,6-7,20-21,23H2,(H,36,41)(H,39,40)(H2,37,38,42)