2-azanyl-3-[1-(4-phenylbutyl)indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(4-phenylbutyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(4-phenylbutyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(4-phenylbutyl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(4-phenylbutyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(4-phenylbutyl)indol-3-yl]propionic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN2C=C(C3=CC=CC=C32)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C=C(C3=CC=CC=C32)CC(C(=O)O)N

InChI

InChI=1S/C21H24N2O2/c22-19(21(24)25)14-17-15-23(20-12-5-4-11-18(17)20)13-7-6-10-16-8-2-1-3-9-16/h1-5,8-9,11-12,15,19H,6-7,10,13-14,22H2,(H,24,25)