ethyl 2-[[[2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]ethanoylamino]-azanyl-methylidene]amino]ethanoate

Systemtic Name: ethyl 2-[[[2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]ethanoylamino]-azanyl-methylidene]amino]ethanoate Openeye Name: ethyl 2-[[[[2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]acetyl]amino]-amino-methylene]amino]acetate CAS Name: 2-[[[[2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-1-oxoethyl]amino]-aminomethylidene]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[[2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]acetyl]amino]-aminomethylidene]amino]acetate Traditional Name: 2-[[[[2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]acetyl]amino]-amino-methylene]amino]acetic acid ethyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN=C(N)NC(=O)CN1C(=CC=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CN=C(N)NC(=O)CN1C(=CC=C1C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C27H34N4O3/c1-2-34-25(33)16-29-26(28)30-24(32)17-31-22(21-6-4-3-5-7-21)8-9-23(31)27-13-18-10-19(14-27)12-20(11-18)15-27/h3-9,18-20H,2,10-17H2,1H3,(H3,28,29,30,32)