2-benzamido-3-[[(4-butoxyphenyl)carbonylamino]-(2,3-dihydro-1H-inden-2-yl)amino]-2-methyl-propanoic acid

Systemtic Name: 2-benzamido-3-[[(4-butoxyphenyl)carbonylamino]-(2,3-dihydro-1H-inden-2-yl)amino]-2-methyl-propanoic acid Openeye Name: 2-benzamido-3-[[(4-butoxybenzoyl)amino]-indan-2-yl-amino]-2-methyl-propanoic acid CAS Name: 2-benzamido-3-[[[(4-butoxyphenyl)-oxomethyl]amino]-(2,3-dihydro-1H-inden-2-yl)amino]-2-methylpropanoic acid IUPAC Name: 2-benzamido-3-[[(4-butoxybenzoyl)amino]-(2,3-dihydro-1H-inden-2-yl)amino]-2-methylpropanoic acid Traditional Name: 2-benzamido-3-[[(4-butoxybenzoyl)amino]-indan-2-yl-amino]-2-methyl-propionic acid Formula: C31H35N3O5 MolecularWeight: 529.6267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NN(CC(C)(C(=O)O)NC(=O)C2=CC=CC=C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NN(CC(C)(C(=O)O)NC(=O)C2=CC=CC=C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C31H35N3O5/c1-3-4-18-39-27-16-14-23(15-17-27)29(36)33-34(26-19-24-12-8-9-13-25(24)20-26)21-31(2,30(37)38)32-28(35)22-10-6-5-7-11-22/h5-17,26H,3-4,18-21H2,1-2H3,(H,32,35)(H,33,36)(H,37,38)