(2S)-2-azanyl-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[5-(p-tolyl)-1H-indol-3-yl]propanoic acid CAS Name: (2S)-2-amino-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid IUPAC Name: (2S)-2-amino-3-[5-(4-methylphenyl)-1H-indol-3-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[5-(p-tolyl)-1H-indol-3-yl]propionic acid Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)NC=C3CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)NC=C3C[C@@H](C(=O)O)N

InChI

InChI=1S/C18H18N2O2/c1-11-2-4-12(5-3-11)13-6-7-17-15(8-13)14(10-20-17)9-16(19)18(21)22/h2-8,10,16,20H,9,19H2,1H3,(H,21,22)/t16-/m0/s1