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

Systemtic Name: 2-diethylaminoethyl 3-butoxy-4-[[2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-(4-benzyloxyphenyl)-2-(tert-butylcarbamoylamino)propanoyl]amino]-3-butoxy-benzoate CAS Name: 3-butoxy-4-[[2-[[(tert-butylamino)-oxomethyl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-butoxy-4-[[2-(tert-butylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoate Traditional Name: 4-[[3-(4-benzoxyphenyl)-2-(tert-butylcarbamoylamino)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C38H52N4O6 MolecularWeight: 660.84268

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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)NC(C)(C)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)NC(C)(C)C

InChI

InChI=1S/C38H52N4O6/c1-7-10-23-46-34-26-30(36(44)47-24-22-42(8-2)9-3)18-21-32(34)39-35(43)33(40-37(45)41-38(4,5)6)25-28-16-19-31(20-17-28)48-27-29-14-12-11-13-15-29/h11-21,26,33H,7-10,22-25,27H2,1-6H3,(H,39,43)(H2,40,41,45)