2-diethylaminoethyl 4-[[3-methyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[3-methyl-2-(2-phenoxyethanoylamino)butanoyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoate CAS Name: 4-[[3-methyl-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]butyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoate Traditional Name: 4-[[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C26H35N3O5/c1-5-29(6-2)16-17-33-26(32)20-12-14-21(15-13-20)27-25(31)24(19(3)4)28-23(30)18-34-22-10-8-7-9-11-22/h7-15,19,24H,5-6,16-18H2,1-4H3,(H,27,31)(H,28,30)