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(1-azanyl-1-oxidanylidene-butan-2-yl) 4-(hexadecylamino)benzoate

(1-azanyl-1-oxidanylidene-butan-2-yl) 4-(hexadecylamino)benzoate

Systemtic Name:(1-azanyl-1-oxidanylidene-butan-2-yl) 4-(hexadecylamino)benzoate
Openeye Name:1-carbamoylpropyl 4-(hexadecylamino)benzoate
CAS Name:4-(hexadecylamino)benzoic acid (1-amino-1-oxobutan-2-yl) ester
IUPAC Name:(1-amino-1-oxobutan-2-yl) 4-(hexadecylamino)benzoate
Traditional Name:4-(cetylamino)benzoic acid 1-carbamoylpropyl ester
Formula: C27H46N2O3
MolecularWeight: 446.66574
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CC)C(=O)N


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CC)C(=O)N


InChI

InChI=1S/C27H46N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-24-20-18-23(19-21-24)27(31)32-25(4-2)26(28)30/h18-21,25,29H,3-17,22H2,1-2H3,(H2,28,30)


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