2-[4-[2-(2-phenylbutanoyloxy)ethyl]-1,4-diazepan-1-yl]ethyl 2-phenylbutanoate

Systemtic Name: 2-[4-[2-(2-phenylbutanoyloxy)ethyl]-1,4-diazepan-1-yl]ethyl 2-phenylbutanoate Openeye Name: 2-[4-[2-(2-phenylbutanoyloxy)ethyl]-1,4-diazepan-1-yl]ethyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid 2-[4-[2-(1-oxo-2-phenylbutoxy)ethyl]-1,4-diazepan-1-yl]ethyl ester IUPAC Name: 2-[4-[2-(2-phenylbutanoyloxy)ethyl]-1,4-diazepan-1-yl]ethyl 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid 2-[4-[2-(2-phenylbutanoyloxy)ethyl]-1,4-diazepan-1-yl]ethyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCCN2CCCN(CC2)CCOC(=O)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCCN2CCCN(CC2)CCOC(=O)C(CC)C3=CC=CC=C3

InChI

InChI=1S/C29H40N2O4/c1-3-26(24-12-7-5-8-13-24)28(32)34-22-20-30-16-11-17-31(19-18-30)21-23-35-29(33)27(4-2)25-14-9-6-10-15-25/h5-10,12-15,26-27H,3-4,11,16-23H2,1-2H3