pyren-1-yl 2-[(2-pyren-1-yloxycarbonylphenyl)amino]benzoate

Systemtic Name: pyren-1-yl 2-[(2-pyren-1-yloxycarbonylphenyl)amino]benzoate Openeye Name: pyren-1-yl 2-(2-pyren-1-yloxycarbonylanilino)benzoate CAS Name: 2-[2-[oxo(1-pyrenyloxy)methyl]anilino]benzoic acid 1-pyrenyl ester IUPAC Name: pyren-1-yl 2-(2-pyren-1-yloxycarbonylanilino)benzoate Traditional Name: 2-(2-pyren-1-yloxycarbonylanilino)benzoic acid pyren-1-yl ester Formula: C46H27NO4 MolecularWeight: 657.71088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)NC6=CC=CC=C6C(=O)OC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)NC6=CC=CC=C6C(=O)OC7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7

InChI

InChI=1S/C46H27NO4/c48-45(50-39-25-21-31-17-15-27-7-5-9-29-19-23-35(39)43(31)41(27)29)33-11-1-3-13-37(33)47-38-14-4-2-12-34(38)46(49)51-40-26-22-32-18-16-28-8-6-10-30-20-24-36(40)44(32)42(28)30/h1-26,47H