ethyl 4-azanylbenzoate; 1,4,7,10,13,16-hexaoxacyclooctadecane

Systemtic Name: ethyl 4-azanylbenzoate; 1,4,7,10,13,16-hexaoxacyclooctadecane Openeye Name: ethyl 4-aminobenzoate; 1,4,7,10,13,16-hexaoxacyclooctadecane CAS Name: 4-aminobenzoic acid ethyl ester; 1,4,7,10,13,16-hexaoxacyclooctadecane IUPAC Name: ethyl 4-aminobenzoate; 1,4,7,10,13,16-hexaoxacyclooctadecane Traditional Name: 4-aminobenzoic acid ethyl ester; 18-crown-6 Formula: C30H46N2O10 MolecularWeight: 594.69364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N.CCOC(=O)C1=CC=C(C=C1)N.C1COCCOCCOCCOCCOCCO1

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N.CCOC(=O)C1=CC=C(C=C1)N.C1COCCOCCOCCOCCOCCO1

InChI

InChI=1S/C12H24O6.2C9H11NO2/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;2*1-2-12-9(11)7-3-5-8(10)6-4-7/h1-12H2;2*3-6H,2,10H2,1H3