methyl 3-[[(4-phenylphenyl)methyl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate

Systemtic Name: methyl 3-[[(4-phenylphenyl)methyl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate Openeye Name: methyl 3-[[(4-phenylphenyl)methyl-[2-(piperazin-1-ylmethyl)allyl]carbamoyl]amino]benzoate CAS Name: 3-[[oxo-[(4-phenylphenyl)methyl-[2-(1-piperazinylmethyl)prop-2-enyl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-phenylphenyl)methyl-[2-(piperazin-1-ylmethyl)prop-2-enyl]carbamoyl]amino]benzoate Traditional Name: 3-[[(4-phenylbenzyl)-[2-(piperazinomethyl)allyl]carbamoyl]amino]benzoic acid methyl ester Formula: C30H34N4O3 MolecularWeight: 498.61596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)C3=CC=CC=C3)CC(=C)CN4CCNCC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CC=C(C=C2)C3=CC=CC=C3)CC(=C)CN4CCNCC4

InChI

InChI=1S/C30H34N4O3/c1-23(20-33-17-15-31-16-18-33)21-34(30(36)32-28-10-6-9-27(19-28)29(35)37-2)22-24-11-13-26(14-12-24)25-7-4-3-5-8-25/h3-14,19,31H,1,15-18,20-22H2,2H3,(H,32,36)