4-[1,3-bis(oxidanylidene)-4,5,6,7-tetraphenyl-isoindol-2-yl]butylcarbamic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-4,5,6,7-tetraphenyl-isoindol-2-yl]butylcarbamic acid Openeye Name: 4-(1,3-dioxo-4,5,6,7-tetraphenyl-isoindolin-2-yl)butylcarbamic acid CAS Name: 4-(1,3-dioxo-4,5,6,7-tetraphenyl-2-isoindolyl)butylcarbamic acid IUPAC Name: 4-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)butylcarbamic acid Traditional Name: 4-(1,3-diketo-4,5,6,7-tetraphenyl-isoindolin-2-yl)butylcarbamic acid Formula: C37H30N2O4 MolecularWeight: 566.6451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)CCCCNC(=O)O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)CCCCNC(=O)O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H30N2O4/c40-35-33-31(27-19-9-3-10-20-27)29(25-15-5-1-6-16-25)30(26-17-7-2-8-18-26)32(28-21-11-4-12-22-28)34(33)36(41)39(35)24-14-13-23-38-37(42)43/h1-12,15-22,38H,13-14,23-24H2,(H,42,43)