methyl 4-[[ethanoyl-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]amino]-pyrrolidin-2-yl-methoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[[ethanoyl-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]amino]-pyrrolidin-2-yl-methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[[N-acetyl-4-[(2-benzyloxyphenyl)carbamoylamino]-3-methoxy-anilino]-pyrrolidin-2-yl-methoxy]-3-nitro-benzoate CAS Name: 4-[[N-acetyl-3-methoxy-4-[[oxo-(2-phenylmethoxyanilino)methyl]amino]anilino]-(2-pyrrolidinyl)methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[N-acetyl-3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]anilino]-pyrrolidin-2-ylmethoxy]-3-nitrobenzoate Traditional Name: 4-[[N-acetyl-4-[(2-benzoxyphenyl)carbamoylamino]-3-methoxy-anilino]-pyrrolidin-2-yl-methoxy]-3-nitro-benzoic acid methyl ester Formula: C36H37N5O9 MolecularWeight: 683.70708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2OCC3=CC=CC=C3)OC)C(C4CCCN4)OC5=C(C=C(C=C5)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N(C1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2OCC3=CC=CC=C3)OC)C(C4CCCN4)OC5=C(C=C(C=C5)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C36H37N5O9/c1-23(42)40(34(29-13-9-19-37-29)50-32-18-15-25(35(43)48-3)20-30(32)41(45)46)26-16-17-28(33(21-26)47-2)39-36(44)38-27-12-7-8-14-31(27)49-22-24-10-5-4-6-11-24/h4-8,10-12,14-18,20-21,29,34,37H,9,13,19,22H2,1-3H3,(H2,38,39,44)