[1-[(2,6-diethylphenyl)carbamoyl]-2-oxidanylidene-azepan-3-yl]carbamic acid

Systemtic Name: [1-[(2,6-diethylphenyl)carbamoyl]-2-oxidanylidene-azepan-3-yl]carbamic acid Openeye Name: [1-[(2,6-diethylphenyl)carbamoyl]-2-oxo-azepan-3-yl]carbamic acid CAS Name: [1-[(2,6-diethylanilino)-oxomethyl]-2-oxo-3-azepanyl]carbamic acid IUPAC Name: [1-[(2,6-diethylphenyl)carbamoyl]-2-oxoazepan-3-yl]carbamic acid Traditional Name: [1-[(2,6-diethylphenyl)carbamoyl]-2-keto-azepan-3-yl]carbamic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCCC(C2=O)NC(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCCC(C2=O)NC(=O)O

InChI

InChI=1S/C18H25N3O4/c1-3-12-8-7-9-13(4-2)15(12)20-17(23)21-11-6-5-10-14(16(21)22)19-18(24)25/h7-9,14,19H,3-6,10-11H2,1-2H3,(H,20,23)(H,24,25)