3-[5-[3-[(phenylmethyl)carbamoylamino]propoxy]-1H-indol-2-yl]propanoic acid

Systemtic Name: 3-[5-[3-[(phenylmethyl)carbamoylamino]propoxy]-1H-indol-2-yl]propanoic acid Openeye Name: 3-[5-[3-(benzylcarbamoylamino)propoxy]-1H-indol-2-yl]propanoic acid CAS Name: 3-[5-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]propoxy]-1H-indol-2-yl]propanoic acid IUPAC Name: 3-[5-[3-(benzylcarbamoylamino)propoxy]-1H-indol-2-yl]propanoic acid Traditional Name: 3-[5-[3-(benzylcarbamoylamino)propoxy]-1H-indol-2-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)NC(=C3)CCC(=O)O

Isomeric SMILES

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

InChI

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