2-[[3-methoxy-4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]amino]propanoic acid

Systemtic Name: 2-[[3-methoxy-4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]amino]propanoic acid Openeye Name: 2-[3-methoxy-4-[3-(4-phenylpiperazin-1-yl)propoxy]anilino]propanoic acid CAS Name: 2-[3-methoxy-4-[3-(4-phenyl-1-piperazinyl)propoxy]anilino]propanoic acid IUPAC Name: 2-[3-methoxy-4-[3-(4-phenylpiperazin-1-yl)propoxy]anilino]propanoic acid Traditional Name: 2-[3-methoxy-4-[3-(4-phenylpiperazino)propoxy]anilino]propionic acid Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC(=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

CC(C(=O)O)NC1=CC(=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H31N3O4/c1-18(23(27)28)24-19-9-10-21(22(17-19)29-2)30-16-6-11-25-12-14-26(15-13-25)20-7-4-3-5-8-20/h3-5,7-10,17-18,24H,6,11-16H2,1-2H3,(H,27,28)