3-[5-[3-[(phenylmethyl)carbamoylamino]propoxy]indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[3-[(phenylmethyl)carbamoylamino]propoxy]indol-1-yl]propanoic acid Openeye Name: 3-[5-[3-(benzylcarbamoylamino)propoxy]indol-1-yl]propanoic acid CAS Name: 3-[5-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]propoxy]-1-indolyl]propanoic acid IUPAC Name: 3-[5-[3-(benzylcarbamoylamino)propoxy]indol-1-yl]propanoic acid Traditional Name: 3-[5-[3-(benzylcarbamoylamino)propoxy]indol-1-yl]propionic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NCCCOC2=CC3=C(C=C2)N(C=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NCCCOC2=CC3=C(C=C2)N(C=C3)CCC(=O)O

InChI

InChI=1S/C22H25N3O4/c26-21(27)10-13-25-12-9-18-15-19(7-8-20(18)25)29-14-4-11-23-22(28)24-16-17-5-2-1-3-6-17/h1-3,5-9,12,15H,4,10-11,13-14,16H2,(H,26,27)(H2,23,24,28)