4-[2-[4-[(butylcarbamoylamino)methyl]phenyl]propan-2-ylcarbamoyloxy]butanoic acid

Systemtic Name: 4-[2-[4-[(butylcarbamoylamino)methyl]phenyl]propan-2-ylcarbamoyloxy]butanoic acid Openeye Name: 4-[[1-[4-[(butylcarbamoylamino)methyl]phenyl]-1-methyl-ethyl]carbamoyloxy]butanoic acid CAS Name: 4-[[2-[4-[[[butylamino(oxo)methyl]amino]methyl]phenyl]propan-2-ylamino]-oxomethoxy]butanoic acid IUPAC Name: 4-[2-[4-[(butylcarbamoylamino)methyl]phenyl]propan-2-ylcarbamoyloxy]butanoic acid Traditional Name: 4-[[1-[4-[(butylcarbamoylamino)methyl]phenyl]-1-methyl-ethyl]carbamoyloxy]butyric acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCC1=CC=C(C=C1)C(C)(C)NC(=O)OCCCC(=O)O

Isomeric SMILES

CCCCNC(=O)NCC1=CC=C(C=C1)C(C)(C)NC(=O)OCCCC(=O)O

InChI

InChI=1S/C20H31N3O5/c1-4-5-12-21-18(26)22-14-15-8-10-16(11-9-15)20(2,3)23-19(27)28-13-6-7-17(24)25/h8-11H,4-7,12-14H2,1-3H3,(H,23,27)(H,24,25)(H2,21,22,26)