tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(13-pyridin-3-yltridecyl)amino]propanoate

Systemtic Name: tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(13-pyridin-3-yltridecyl)amino]propanoate Openeye Name: tert-butyl 3-[tert-butoxycarbonyl-[13-(3-pyridyl)tridecyl]amino]propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[13-(3-pyridinyl)tridecyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(13-pyridin-3-yltridecyl)amino]propanoate Traditional Name: 3-[tert-butoxycarbonyl-[13-(3-pyridyl)tridecyl]amino]propionic acid tert-butyl ester Formula: C30H52N2O4 MolecularWeight: 504.74488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN(CCCCCCCCCCCCCC1=CN=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCN(CCCCCCCCCCCCCC1=CN=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H52N2O4/c1-29(2,3)35-27(33)21-24-32(28(34)36-30(4,5)6)23-17-15-13-11-9-7-8-10-12-14-16-19-26-20-18-22-31-25-26/h18,20,22,25H,7-17,19,21,23-24H2,1-6H3