2-(4-phenylpiperazin-1-yl)ethyl 4-methyl-2-nitro-3-phenylmethoxy-benzoate

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl 4-methyl-2-nitro-3-phenylmethoxy-benzoate Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl 3-benzyloxy-4-methyl-2-nitro-benzoate CAS Name: 4-methyl-2-nitro-3-phenylmethoxybenzoic acid 2-(4-phenyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 4-methyl-2-nitro-3-phenylmethoxybenzoate Traditional Name: 3-benzoxy-4-methyl-2-nitro-benzoic acid 2-(4-phenylpiperazino)ethyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)OCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)OCCN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O5/c1-21-12-13-24(25(30(32)33)26(21)35-20-22-8-4-2-5-9-22)27(31)34-19-18-28-14-16-29(17-15-28)23-10-6-3-7-11-23/h2-13H,14-20H2,1H3