ethyl 4-[[[2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]ethanoylamino]-azanyl-methylidene]amino]butanoate

Systemtic Name: ethyl 4-[[[2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]ethanoylamino]-azanyl-methylidene]amino]butanoate Openeye Name: ethyl 4-[[[[2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]acetyl]amino]-amino-methylene]amino]butanoate CAS Name: 4-[[[[2-[2-(1-adamantyl)-5-phenyl-1-pyrrolyl]-1-oxoethyl]amino]-aminomethylidene]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[[[2-[2-(1-adamantyl)-5-phenylpyrrol-1-yl]acetyl]amino]-aminomethylidene]amino]butanoate Traditional Name: 4-[[[[2-[2-(1-adamantyl)-5-phenyl-pyrrol-1-yl]acetyl]amino]-amino-methylene]amino]butyric acid ethyl ester Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O3/c1-2-36-27(35)9-6-12-31-28(30)32-26(34)19-33-24(23-7-4-3-5-8-23)10-11-25(33)29-16-20-13-21(17-29)15-22(14-20)18-29/h3-5,7-8,10-11,20-22H,2,6,9,12-19H2,1H3,(H3,30,31,32,34)