2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-1,3-bis(ethoxycarbonyl)azulen-6-yl]ethanoic acid Openeye Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetic acid CAS Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]acetic acid IUPAC Name: 2-[2-amino-1,3-bis(ethoxycarbonyl)azulen-6-yl]acetic acid Traditional Name: 2-(2-amino-1,3-dicarbethoxy-azulen-6-yl)acetic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)CC(=O)O

InChI

InChI=1S/C18H19NO6/c1-3-24-17(22)14-11-7-5-10(9-13(20)21)6-8-12(11)15(16(14)19)18(23)25-4-2/h5-8H,3-4,9,19H2,1-2H3,(H,20,21)