4-[5-[4-(1,2-diaziridin-3-yl)phenoxy]pentoxy]-4-[2-[di(propan-2-yl)carbamoyl]phenoxy]butanoic acid

Systemtic Name: 4-[5-[4-(1,2-diaziridin-3-yl)phenoxy]pentoxy]-4-[2-[di(propan-2-yl)carbamoyl]phenoxy]butanoic acid Openeye Name: 4-[5-[4-(diaziridin-3-yl)phenoxy]pentoxy]-4-[2-(diisopropylcarbamoyl)phenoxy]butanoic acid CAS Name: 4-[5-[4-(3-diaziridinyl)phenoxy]pentoxy]-4-[2-[[di(propan-2-yl)amino]-oxomethyl]phenoxy]butanoic acid IUPAC Name: 4-[5-[4-(diaziridin-3-yl)phenoxy]pentoxy]-4-[2-[di(propan-2-yl)carbamoyl]phenoxy]butanoic acid Traditional Name: 4-[5-[4-(diaziridin-3-yl)phenoxy]pentoxy]-4-[2-(diisopropylcarbamoyl)phenoxy]butyric acid Formula: C29H41N3O6 MolecularWeight: 527.65234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C1=CC=CC=C1OC(CCC(=O)O)OCCCCCOC2=CC=C(C=C2)C3NN3

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C1=CC=CC=C1OC(CCC(=O)O)OCCCCCOC2=CC=C(C=C2)C3NN3

InChI

InChI=1S/C29H41N3O6/c1-20(2)32(21(3)4)29(35)24-10-6-7-11-25(24)38-27(17-16-26(33)34)37-19-9-5-8-18-36-23-14-12-22(13-15-23)28-30-31-28/h6-7,10-15,20-21,27-28,30-31H,5,8-9,16-19H2,1-4H3,(H,33,34)