1,3-dioxolan-4-ylmethyl 4-(hexadecylamino)-2-phenyl-benzoate

Systemtic Name: 1,3-dioxolan-4-ylmethyl 4-(hexadecylamino)-2-phenyl-benzoate Openeye Name: 1,3-dioxolan-4-ylmethyl 4-(hexadecylamino)-2-phenyl-benzoate CAS Name: 4-(hexadecylamino)-2-phenylbenzoic acid 1,3-dioxolan-4-ylmethyl ester IUPAC Name: 1,3-dioxolan-4-ylmethyl 4-(hexadecylamino)-2-phenylbenzoate Traditional Name: 4-(cetylamino)-2-phenyl-benzoic acid 1,3-dioxolan-4-ylmethyl ester Formula: C33H49NO4 MolecularWeight: 523.74646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)OCC2COCO2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)OCC2COCO2)C3=CC=CC=C3

InChI

InChI=1S/C33H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-34-29-21-22-31(32(24-29)28-19-16-15-17-20-28)33(35)37-26-30-25-36-27-38-30/h15-17,19-22,24,30,34H,2-14,18,23,25-27H2,1H3