tert-butyl N-[1-[5-(4-pyren-1-ylbutanoylamino)pentoxy]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[5-(4-pyren-1-ylbutanoylamino)pentoxy]propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-methyl-2-[5-(4-pyren-1-ylbutanoylamino)pentoxy]ethyl]carbamate CAS Name: N-[1-[5-[[1-oxo-4-(1-pyrenyl)butyl]amino]pentoxy]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[5-(4-pyren-1-ylbutanoylamino)pentoxy]propan-2-yl]carbamate Traditional Name: N-[1-methyl-2-[5-(4-pyren-1-ylbutanoylamino)pentoxy]ethyl]carbamic acid tert-butyl ester Formula: C33H42N2O4 MolecularWeight: 530.69758

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCCCCCNC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(COCCCCCNC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H42N2O4/c1-23(35-32(37)39-33(2,3)4)22-38-21-7-5-6-20-34-29(36)13-9-10-24-14-15-27-17-16-25-11-8-12-26-18-19-28(24)31(27)30(25)26/h8,11-12,14-19,23H,5-7,9-10,13,20-22H2,1-4H3,(H,34,36)(H,35,37)