ethyl 3-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-benzoyl]amino]benzoate CAS Name: 3-[[[4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-phenylphenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(2-acetamido-6-aminohexanoyl)amino]-2-phenylbenzoyl]amino]benzoate Traditional Name: 3-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-benzoyl]amino]benzoic acid ethyl ester Formula: C30H34N4O5 MolecularWeight: 530.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=C(C=C2)NC(=O)C(CCCCN)NC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=C(C=C2)NC(=O)C(CCCCN)NC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C30H34N4O5/c1-3-39-30(38)22-12-9-13-23(18-22)33-28(36)25-16-15-24(19-26(25)21-10-5-4-6-11-21)34-29(37)27(32-20(2)35)14-7-8-17-31/h4-6,9-13,15-16,18-19,27H,3,7-8,14,17,31H2,1-2H3,(H,32,35)(H,33,36)(H,34,37)