tert-butyl N-[3-[5-(4-pyren-1-ylbutanoylamino)pentoxy]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[5-(4-pyren-1-ylbutanoylamino)pentoxy]propyl]carbamate Openeye Name: tert-butyl N-[3-[5-(4-pyren-1-ylbutanoylamino)pentoxy]propyl]carbamate CAS Name: N-[3-[5-[[1-oxo-4-(1-pyrenyl)butyl]amino]pentoxy]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[5-(4-pyren-1-ylbutanoylamino)pentoxy]propyl]carbamate Traditional Name: N-[3-[5-(4-pyren-1-ylbutanoylamino)pentoxy]propyl]carbamic acid tert-butyl ester Formula: C33H42N2O4 MolecularWeight: 530.69758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H42N2O4/c1-33(2,3)39-32(37)35-21-9-23-38-22-6-4-5-20-34-29(36)13-8-10-24-14-15-27-17-16-25-11-7-12-26-18-19-28(24)31(27)30(25)26/h7,11-12,14-19H,4-6,8-10,13,20-23H2,1-3H3,(H,34,36)(H,35,37)