[2-[(4-benzamido-2,5-diethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-(furan-2-ylmethyl)azanium

Systemtic Name: [2-[(4-benzamido-2,5-diethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-(furan-2-ylmethyl)azanium Openeye Name: [2-(4-benzamido-2,5-diethoxy-anilino)-2-oxo-ethyl]-cyclopropyl-(2-furylmethyl)ammonium CAS Name: [2-(4-benzamido-2,5-diethoxyanilino)-2-oxoethyl]-cyclopropyl-(2-furanylmethyl)ammonium IUPAC Name: [2-(4-benzamido-2,5-diethoxyanilino)-2-oxoethyl]-cyclopropyl-(furan-2-ylmethyl)azanium Traditional Name: [2-(4-benzamido-2,5-diethoxy-anilino)-2-keto-ethyl]-cyclopropyl-(2-furfuryl)ammonium Formula: C27H32N3O5+ MolecularWeight: 478.56008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C[NH+](CC3=CC=CO3)C4CC4

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C[NH+](CC3=CC=CO3)C4CC4

InChI

InChI=1S/C27H31N3O5/c1-3-33-24-16-23(29-27(32)19-9-6-5-7-10-19)25(34-4-2)15-22(24)28-26(31)18-30(20-12-13-20)17-21-11-8-14-35-21/h5-11,14-16,20H,3-4,12-13,17-18H2,1-2H3,(H,28,31)(H,29,32)/p+1