3-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[1-[(4-cyanophenyl)methyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[(4-cyanophenyl)methyl]-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-[(4-cyanophenyl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[1-(4-cyanobenzyl)indol-3-yl]propionic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C24H25N3O4/c1-24(2,3)31-23(30)26-20(22(28)29)12-18-15-27(21-7-5-4-6-19(18)21)14-17-10-8-16(13-25)9-11-17/h4-11,15,20H,12,14H2,1-3H3,(H,26,30)(H,28,29)