2-diethylaminoethyl 4-[(2-azanyl-3-naphthalen-2-yl-propanoyl)amino]-3-butoxy-benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(2-azanyl-3-naphthalen-2-yl-propanoyl)amino]-3-butoxy-benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-amino-3-(2-naphthyl)propanoyl]amino]-3-butoxy-benzoate CAS Name: 4-[[2-amino-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-butoxybenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-3-butoxybenzoate Traditional Name: 4-[[2-amino-3-(2-naphthyl)propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C30H39N3O4/c1-4-7-17-36-28-21-25(30(35)37-18-16-33(5-2)6-3)14-15-27(28)32-29(34)26(31)20-22-12-13-23-10-8-9-11-24(23)19-22/h8-15,19,21,26H,4-7,16-18,20,31H2,1-3H3,(H,32,34)