2-azanyl-3-(4-indol-1-ylphenyl)-2-methyl-propanoic acid hydrate

Systemtic Name: 2-azanyl-3-(4-indol-1-ylphenyl)-2-methyl-propanoic acid hydrate Openeye Name: 2-amino-3-(4-indol-1-ylphenyl)-2-methyl-propanoic acid hydrate CAS Name: 2-amino-3-[4-(1-indolyl)phenyl]-2-methylpropanoic acid hydrate IUPAC Name: 2-amino-3-(4-indol-1-ylphenyl)-2-methylpropanoic acid hydrate Traditional Name: 2-amino-3-(4-indol-1-ylphenyl)-2-methyl-propionic acid hydrate Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)N2C=CC3=CC=CC=C32)(C(=O)O)N.O

Isomeric SMILES

CC(CC1=CC=C(C=C1)N2C=CC3=CC=CC=C32)(C(=O)O)N.O

InChI

InChI=1S/C18H18N2O2.H2O/c1-18(19,17(21)22)12-13-6-8-15(9-7-13)20-11-10-14-4-2-3-5-16(14)20;/h2-11H,12,19H2,1H3,(H,21,22);1H2