[(2-methylpropan-2-yl)oxycarbonyl-(pyren-1-ylmethyl)amino] benzoate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonyl-(pyren-1-ylmethyl)amino] benzoate Openeye Name: [tert-butoxycarbonyl(pyren-1-ylmethyl)amino] benzoate CAS Name: benzoic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]-(1-pyrenylmethyl)amino] ester IUPAC Name: [(2-methylpropan-2-yl)oxycarbonyl-(pyren-1-ylmethyl)amino] benzoate Traditional Name: benzoic acid [tert-butoxycarbonyl(pyren-1-ylmethyl)amino] ester Formula: C29H25NO4 MolecularWeight: 451.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25NO4/c1-29(2,3)33-28(32)30(34-27(31)22-8-5-4-6-9-22)18-23-15-14-21-13-12-19-10-7-11-20-16-17-24(23)26(21)25(19)20/h4-17H,18H2,1-3H3