(phenylmethyl) 2-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=O)C4CCCN4C(=O)OCC5=CC=CC=C5)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=O)C4CCCN4C(=O)OCC5=CC=CC=C5)N2

InChI

InChI=1S/C27H25N3O5/c1-17-9-12-24-21(14-17)29-26(35-24)20-15-19(10-11-23(20)31)28-25(32)22-8-5-13-30(22)27(33)34-16-18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,22,29H,5,8,13,16H2,1H3,(H,28,32)