ethyl 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3-propan-2-yloxyphenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-[(3-propan-2-yloxyphenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-isopropoxybenzoyl)amino]benzoate CAS Name: 3-[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-propan-2-yloxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-[(3-isopropoxybenzoyl)amino]benzoic acid ethyl ester Formula: C30H36N3O4+ MolecularWeight: 502.62454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)OC(C)C

InChI

InChI=1S/C30H35N3O4/c1-4-36-30(35)25-13-14-28(33-17-15-32(16-18-33)21-23-9-6-5-7-10-23)27(20-25)31-29(34)24-11-8-12-26(19-24)37-22(2)3/h5-14,19-20,22H,4,15-18,21H2,1-3H3,(H,31,34)/p+1