4-[[2-azanyl-4-[cyclohexyl(methyl)carbamoyl]phenyl]amino]butanoic acid

Systemtic Name: 4-[[2-azanyl-4-[cyclohexyl(methyl)carbamoyl]phenyl]amino]butanoic acid Openeye Name: 4-[2-amino-4-[cyclohexyl(methyl)carbamoyl]anilino]butanoic acid CAS Name: 4-[2-amino-4-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]butanoic acid IUPAC Name: 4-[2-amino-4-[cyclohexyl(methyl)carbamoyl]anilino]butanoic acid Traditional Name: 4-[2-amino-4-[cyclohexyl(methyl)carbamoyl]anilino]butyric acid Formula: C18H27N3O3 MolecularWeight: 333.42528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)NCCCC(=O)O)N

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC(=C(C=C2)NCCCC(=O)O)N

InChI

InChI=1S/C18H27N3O3/c1-21(14-6-3-2-4-7-14)18(24)13-9-10-16(15(19)12-13)20-11-5-8-17(22)23/h9-10,12,14,20H,2-8,11,19H2,1H3,(H,22,23)