methyl 2-(4-methoxyphenyl)-6-phenyl-2-(4-pyrrolidin-1-ylphenyl)-1H-naphtho[1,2-b]oxanthrene-5-carboxylate

Systemtic Name: methyl 2-(4-methoxyphenyl)-6-phenyl-2-(4-pyrrolidin-1-ylphenyl)-1H-naphtho[1,2-b]oxanthrene-5-carboxylate Openeye Name: methyl 2-(4-methoxyphenyl)-6-phenyl-2-(4-pyrrolidin-1-ylphenyl)-1H-naphtho[1,2-b]oxanthrene-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-6-phenyl-2-[4-(1-pyrrolidinyl)phenyl]-1H-naphtho[1,2-b]oxanthrene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methoxyphenyl)-6-phenyl-2-(4-pyrrolidin-1-ylphenyl)-1H-naphtho[1,2-b]oxanthrene-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-6-phenyl-2-(4-pyrrolidinophenyl)-1H-naphtho[1,2-b]oxanthrene-5-carboxylic acid methyl ester Formula: C45H37NO5 MolecularWeight: 671.77898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC3=C(C=C2)C(=C(C4=CC5=C(C=C34)OC6=CC=CC=C6O5)C7=CC=CC=C7)C(=O)OC)C8=CC=C(C=C8)N9CCCC9

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC3=C(C=C2)C(=C(C4=CC5=C(C=C34)OC6=CC=CC=C6O5)C7=CC=CC=C7)C(=O)OC)C8=CC=C(C=C8)N9CCCC9

InChI

InChI=1S/C45H37NO5/c1-48-33-20-16-31(17-21-33)45(30-14-18-32(19-15-30)46-24-8-9-25-46)23-22-34-37(28-45)35-26-40-41(51-39-13-7-6-12-38(39)50-40)27-36(35)42(43(34)44(47)49-2)29-10-4-3-5-11-29/h3-7,10-23,26-27H,8-9,24-25,28H2,1-2H3