2-diethylaminoethyl 4-[[2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxy-benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxy-benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-acetamido-3-(4-benzyloxyphenyl)propanoyl]amino]-3-butoxy-benzoate CAS Name: 4-[[2-acetamido-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]-3-butoxybenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-acetamido-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-butoxybenzoate Traditional Name: 4-[[2-acetamido-3-(4-benzoxyphenyl)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C35H45N3O6 MolecularWeight: 603.7483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C35H45N3O6/c1-5-8-21-42-33-24-29(35(41)43-22-20-38(6-2)7-3)16-19-31(33)37-34(40)32(36-26(4)39)23-27-14-17-30(18-15-27)44-25-28-12-10-9-11-13-28/h9-19,24,32H,5-8,20-23,25H2,1-4H3,(H,36,39)(H,37,40)