N-[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl]-N-ethoxy-piperidin-1-amine oxide

Systemtic Name: N-[2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoyl]-N-ethoxy-piperidin-1-amine oxide Openeye Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-N-ethoxy-piperidin-1-amine oxide CAS Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-1-oxoethyl]-N-ethoxy-1-piperidinamine oxide IUPAC Name: N-[2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetyl]-N-ethoxypiperidin-1-amine oxide Traditional Name: N-[2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)acetyl]-N-ethoxy-piperidin-1-amine oxide Formula: C25H33N3O7 MolecularWeight: 487.54542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)[N+](N3CCCCC3)([O-])OCC

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)[N+](N3CCCCC3)([O-])OCC

InChI

InChI=1S/C25H33N3O7/c1-4-33-24(30)21-18-12-10-17(11-13-19(18)22(23(21)26)25(31)34-5-2)16-20(29)28(32,35-6-3)27-14-8-7-9-15-27/h10-13H,4-9,14-16,26H2,1-3H3