2-dimethylaminoethyl 4-[[[2-(dimethylamino)-5-morpholin-4-ylcarbonyl-phenyl]-pentanoyl-amino]methyl]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[[[2-(dimethylamino)-5-morpholin-4-ylcarbonyl-phenyl]-pentanoyl-amino]methyl]benzoate Openeye Name: 2-dimethylaminoethyl 4-[[2-(dimethylamino)-5-(morpholine-4-carbonyl)-N-pentanoyl-anilino]methyl]benzoate CAS Name: 4-[[2-(dimethylamino)-5-[4-morpholinyl(oxo)methyl]-N-(1-oxopentyl)anilino]methyl]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[[2-(dimethylamino)-5-(morpholine-4-carbonyl)-N-pentanoylanilino]methyl]benzoate Traditional Name: 4-[[2-(dimethylamino)-5-(morpholine-4-carbonyl)-N-valeryl-anilino]methyl]benzoic acid 2-dimethylaminoethyl ester Formula: C30H42N4O5 MolecularWeight: 538.67828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)OCCN(C)C)C2=C(C=CC(=C2)C(=O)N3CCOCC3)N(C)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)OCCN(C)C)C2=C(C=CC(=C2)C(=O)N3CCOCC3)N(C)C

InChI

InChI=1S/C30H42N4O5/c1-6-7-8-28(35)34(22-23-9-11-24(12-10-23)30(37)39-20-15-31(2)3)27-21-25(13-14-26(27)32(4)5)29(36)33-16-18-38-19-17-33/h9-14,21H,6-8,15-20,22H2,1-5H3