(2S)-3-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid

Systemtic Name: (2S)-3-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid Openeye Name: (2S)-3-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-2-pyrrol-1-yl-propanoic acid CAS Name: (2S)-3-[4-[2-(4-phenyl-1-piperazinyl)ethoxy]phenyl]-2-(1-pyrrolyl)propanoic acid IUPAC Name: (2S)-3-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-2-pyrrol-1-ylpropanoic acid Traditional Name: (2S)-3-[4-[2-(4-phenylpiperazino)ethoxy]phenyl]-2-pyrrol-1-yl-propionic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)CC(C(=O)O)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)C[C@@H](C(=O)O)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c29-25(30)24(28-12-4-5-13-28)20-21-8-10-23(11-9-21)31-19-18-26-14-16-27(17-15-26)22-6-2-1-3-7-22/h1-13,24H,14-20H2,(H,29,30)/t24-/m0/s1