methyl 3-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C27H29N3O7 MolecularWeight: 507.53506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNCC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)O

Isomeric SMILES

COC1=CC=CC(=C1)CNCC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)O

InChI

InChI=1S/C27H29N3O7/c1-36-23-10-6-9-19(11-23)16-28-17-25(31)24(12-18-7-4-3-5-8-18)29-26(32)20-13-21(27(33)37-2)15-22(14-20)30(34)35/h3-11,13-15,24-25,28,31H,12,16-17H2,1-2H3,(H,29,32)