ethyl 2-azanyl-3-[(2-azanyl-3-ethoxycarbonyl-azulen-1-yl)methyl]azulene-1-carboxylate

Systemtic Name: ethyl 2-azanyl-3-[(2-azanyl-3-ethoxycarbonyl-azulen-1-yl)methyl]azulene-1-carboxylate Openeye Name: ethyl 2-amino-3-[(2-amino-3-ethoxycarbonyl-azulen-1-yl)methyl]azulene-1-carboxylate CAS Name: 2-amino-3-[(2-amino-3-ethoxycarbonyl-1-azulenyl)methyl]-1-azulenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[(2-amino-3-ethoxycarbonylazulen-1-yl)methyl]azulene-1-carboxylate Traditional Name: 2-amino-3-[(2-amino-3-carbethoxy-azulen-1-yl)methyl]azulene-1-carboxylic acid ethyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2C1=CC=CC=C2)CC3=C4C=CC=CC=C4C(=C3N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(C(=C2C1=CC=CC=C2)CC3=C4C=CC=CC=C4C(=C3N)C(=O)OCC)N

InChI

InChI=1S/C27H26N2O4/c1-3-32-26(30)22-18-13-9-5-7-11-16(18)20(24(22)28)15-21-17-12-8-6-10-14-19(17)23(25(21)29)27(31)33-4-2/h5-14H,3-4,15,28-29H2,1-2H3