methyl 4-[(2,5-ditert-butylphenyl)-methyl-carbamoyl]perylene-3-carboxylate

Systemtic Name: methyl 4-[(2,5-ditert-butylphenyl)-methyl-carbamoyl]perylene-3-carboxylate Openeye Name: methyl 4-[(2,5-ditert-butylphenyl)-methyl-carbamoyl]perylene-3-carboxylate CAS Name: 4-[(2,5-ditert-butyl-N-methylanilino)-oxomethyl]-3-perylenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2,5-ditert-butylphenyl)-methylcarbamoyl]perylene-3-carboxylate Traditional Name: 4-[(2,5-ditert-butylphenyl)-methyl-carbamoyl]perylene-3-carboxylic acid methyl ester Formula: C38H37NO3 MolecularWeight: 555.70528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N(C)C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N(C)C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC6=C5C4=CC=C6)C(=O)OC

InChI

InChI=1S/C38H37NO3/c1-37(2,3)23-15-20-30(38(4,5)6)31(21-23)39(7)35(40)28-18-16-26-24-13-9-11-22-12-10-14-25(32(22)24)27-17-19-29(36(41)42-8)34(28)33(26)27/h9-21H,1-8H3