5-[2-[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-1-azanyl-2-oxidanylidene-ethyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-1-azanyl-2-oxidanylidene-ethyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[2-[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-1-amino-2-oxo-ethyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[2-[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-1-amino-2-oxoethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[2-[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-1-amino-2-oxoethyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[2-[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrol-3-yl]-1-amino-2-keto-ethyl]isophthalic acid Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)C(C6=CC(=CC(=C6)C(=O)O)C(=O)O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=C(C=C(N4)C5=CC=CC=C5)C(=O)C(C6=CC(=CC(=C6)C(=O)O)C(=O)O)N

InChI

InChI=1S/C31H32N2O5/c32-27(21-9-22(29(35)36)11-23(10-21)30(37)38)28(34)24-12-25(20-4-2-1-3-5-20)33-26(24)16-31-13-17-6-18(14-31)8-19(7-17)15-31/h1-5,9-12,17-19,27,33H,6-8,13-16,32H2,(H,35,36)(H,37,38)